nmrshiftdb2http://www.nmrshiftdb.orgnmrshiftdb2 is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance datanmrshiftdb.orgnmrshiftdb2-admin@uni-koeln.demolecule/80039213InChI=1S/C6H3N5P/c1-12(2-7,3-8,4-9,5-10)6-11/h1H3/q-1 (INChI), BXMCBAMVWJTQED-UHFFFAOYSA-N (InChI Key), InChI=1/C6H3N5P/c1-12(2-7,3-8,4-9,5-10)6-11/h1H3/q-1 (InChI with fixed H layer), N#C[P-](C#N)(C#N)(C#N)(C#N)C (SMILES), C([H])([H])([H])[P-](C#N)(C#N)(C#N)(C#N)C#N (chiral SMILES)2024-01-09T21:38:45+01:00bulkloadtruetruetruetruetruetruetruetruetruetruetruetruetruetruetruenmrshiftdb2 80039213UnknownUnknownmolecule/80039214InChI=1S/C7H5N5P/c1-2-13(3-8,4-9,5-10,6-11)7-12/h2H2,1H3/q-1 (INChI), QFNHYQSAAKYTKG-UHFFFAOYSA-N (InChI Key), InChI=1/C7H5N5P/c1-2-13(3-8,4-9,5-10,6-11)7-12/h2H2,1H3/q-1 (InChI with fixed H layer), N#C[P-](C#N)(C#N)(C#N)(C#N)CC (SMILES), C([H])([H])([H])C([H])([H])[P-](C#N)(C#N)(C#N)(C#N)C#N (chiral SMILES)2024-01-09T21:38:45+01:00bulkloadtruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruenmrshiftdb2 80039214UnknownUnknownmolecule/80039215InChI=1S/C36H24P/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)37(31,33-21-9-3-15-27(33)28-16-4-10-22-34(28)37)35-23-11-5-17-29(35)30-18-6-12-24-36(30)37/h1-24H/q-1 (INChI), XYTVOOJLUZLFIE-UHFFFAOYSA-N (InChI Key), InChI=1/C36H24P/c1-7-19-31-25(13-1)26-14-2-8-20-32(26)37(31,33-21-9-3-15-27(33)28-16-4-10-22-34(28)37)35-23-11-5-17-29(35)30-18-6-12-24-36(30)37/h1-24H/q-1 (InChI with fixed H layer), c1ccc2c(c1)-c3ccccc3[P-]245(c6ccccc6-c7ccccc74)c8ccccc8-c9ccccc95 (SMILES), c1([H])c([H])c([H])c2c(c1[H])-c3c([H])c([H])c([H])c([H])c3[P-]245(c6c([H])c([H])c([H])c([H])c6-c7c([H])c([H])c([H])c([H])c74)c8c([H])c([H])c([H])c([H])c8-c9c([H])c([H])c([H])c([H])c95 (chiral SMILES)2024-01-09T21:38:45+01:00bulkloadtruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruetruenmrshiftdb2 80039215UnknownUnknownmolecule/80039210InChI=1S/C5H3ClN4P/c1-11(6,2-7,3-8,4-9)5-10/h1H3 (INChI), AJPPNLQLGJDVHP-UHFFFAOYSA-N (InChI Key), InChI=1/C5H3ClN4P/c1-11(6,2-7,3-8,4-9)5-10/h1H3 (InChI with fixed H layer), N#CP(Cl)(C#N)(C#N)(C#N)C (SMILES)2024-01-09T21:38:44+01:00bulkloadtruetruetruetruetruetruetruetruetruetruetruetruetruetruenmrshiftdb2 80039210UnknownUnknown