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3,5-Diamino-benzoic acid, hydrochloride

View entire compound with spectra: 1 Raman, and 1 MS (GC)

3,5-Diamino-benzoic acid, hydrochloride
SpectraBase Compound ID 78cBPyHi6Io
InChI InChI=1S/C7H8N2O2.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,8-9H2,(H,10,11);1H
InChIKey GJYYDDRSICTFRM-UHFFFAOYSA-N
Mol Weight 188.61 g/mol
Molecular Formula C7H9ClN2O2
Exact Mass 188.035255 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EgtQCcwTKqd
Name 3,5-Diaminobenzoic acid, dihydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.035255236 u
Formula C7H9ClN2O2
InChI InChI=1S/C7H8N2O2.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,8-9H2,(H,10,11);1H
InChIKey GJYYDDRSICTFRM-UHFFFAOYSA-N
Molecular Weight 188.614 g/mol
Nominal Mass 188 u
SMILES Cl.NC=1C=C(C=C(C1)N)C(O)=O
Spectrum/Structure Validation Score (Raman) 0.951812