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1,3-Benzodioxole-5-carboxylic acid, 6-amino-
SpectraBase Compound ID GYzNiTL4zfv
InChI InChI=1S/C8H7NO4/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3,9H2,(H,10,11)
InChIKey OJTOAMSTANUUMJ-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3j2X7hTHhg
Name 1,3-Benzodioxole-5-carboxylic acid, 6-amino-
Alternate Name(s) 6-Aminobenzo[d][1,3]dioxole-5-carboxylic acid 6-Amino-2H-1,3-benzodioxole-5-carboxylic acid 6-Amino-1,3-benzodioxole-5-carboxylic acid 6-Azanyl-1,3-benzodioxole-5-carboxylic acid
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Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3,9H2,(H,10,11)
InChIKey OJTOAMSTANUUMJ-UHFFFAOYSA-N
Molecular Weight 181.147 g/mol
SMILES Nc1c(C(O)=O)cc2OCOc2c1
SPLASH splash10-01q9-3900000000-6cfecc7f073a29108d98
Source of Spectrum JX-2012-865
Wiley ID 1661311