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Details
sdbs
Spectral Data
Additional Data
Download
Molecule
20097213
Chemical name(s)
5-azaniumylnaphthalene-2-sulfonate
Chemical formula
C
10
H
9
NO
3
S
Molecular weight
223.248
Number of double bond equivalents (DBEs)
7.0
Number of all rings, size of smallest set of smallest rings
3, 2
Canonical name(s)
O=S(=O)([O-])c1ccc2c(cccc2[NH3... (truncated)
(SMILES)
InChI=1S/C10H9NO3S/c11-10-3-1-... (truncated)
(INChI)
UWPJYQYRSWYIGZ-UHFFFAOYSA-N (InChI Key)
InChI=1/C10H9NO3S/c11-10-3-1-2... (truncated)
(InChI with fixed H layer)
CAS-Number
119-79-9
Additional information
ChEBI
;
Links from Unichem:
ChemicalBook;EPA (Environmental Protection Agency) CompTox Dashboard;ZINC;SureChEMBL;Mcule;MolPort;Nikkaji;PubChem Compounds;PubChem Compounds;Probes And Drugs;PubChem ('Thomson Pharma' subset);ACToR;... (truncated)
Molecule keywords
DOI
13C Spectrum
20130998 Rating: 10
Type
13C
Measurement conditions
Temperature [K]
Unreported
Solvent
Unreported
Field Strength [MHz]
Unreported
Assignment Method
Unreported
Literature
Additional comments
S1998.mol; multiplicities generated from H count
Additional information
sdbs
Spectrum categories
sdbs
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
7.986
2-H
7.570
3-H
7.570
4-H
7.819
5-H
7.943
6-H
8.204
11-H
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