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Spectral Data

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Molecule	10017644
Chemical name(s)	2-(1H-indol-3-yl)-N,N-dimethylethanamine
Chemical formula	C₁₂H₁₆N₂
Molecular weight	188.269
Number of double bond equivalents (DBEs)	6.0
Number of all rings, size of smallest set of smallest rings	3, 2
Canonical name(s)	c1ccc2c(c1)[nH]cc2CCN(C)C (SMILES) 2-(1H-indol-3-yl)-N,N-dimethyl... (truncated) (IUPAC from ACD/Name) 1H-indole-3-ethanamine, N,N-di... (truncated) (Index from ACD/Name) InChI=1S/C12H16N2/c1-14(2)8-7-... (truncated) (INChI) DMULVCHRPCFFGV-UHFFFAOYSA-N (InChI Key) InChI=1/C12H16N2/c1-14(2)8-7-1... (truncated) (InChI with fixed H layer)
CAS-Number	61-50-7
Additional information	ChEBI; Links from Unichem: Guide to Pharmacology;IBM strategic IP insight platform and the National Institutes of Health;PubChem ('Thomson Pharma' subset);PubChem Compounds;Metabolights;Brenda;Brenda;KEGG (Kyoto Encyclo... (truncated)
Molecule keywords
DOI
13C Spectrum	10042667 Rating: 10
Type	13C
Measurement conditions
Temperature [K]	Unreported
Solvent	Unreported
Field Strength [MHz]	Unreported
Assignment Method	Unreported
Literature
Additional comments	100.MOL.2; Multiplicities generated automatically from H count
Additional information
Spectrum categories	ocmainz inhouse-2