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2-Acetyloxy-5-isothiocyanato-benzoic acid
SpectraBase Compound ID JjRBoaP91GW
InChI InChI=1S/C10H7NO4S/c1-6(12)15-9-3-2-7(11-5-16)4-8(9)10(13)14/h2-4H,1H3,(H,13,14)
InChIKey ZWLLOEQPFAXINU-UHFFFAOYSA-N
Mol Weight 237.23 g/mol
Molecular Formula C10H7NO4S
Exact Mass 237.009579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OxsN5kFe8i
Name 2-Acetyloxy-5-isothiocyanato-benzoic acid
CAS Registry Number 264257-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7NO4S
InChI InChI=1S/C10H7NO4S/c1-6(12)15-9-3-2-7(11-5-16)4-8(9)10(13)14/h2-4H,1H3,(H,13,14)
InChIKey ZWLLOEQPFAXINU-UHFFFAOYSA-N
Molecular Weight 237.229 g/mol
SMILES OC(=O)c1c(ccc(c1)N=C=S)OC(=O)C
SPLASH splash10-0007-9500000000-80ad3c70a9180390a482
Source of Spectrum AD-0-2532-0
Synonyms 2-(Acetyloxy)-5-isothiocyanatobenzoic acid 2-Acetoxy-5-isothiocyanato-benzoic acid Benzoic acid, 2-(acetyloxy)-5-isothiocyanato- 2-Acetyloxy-5-isothiocyanatobenzoic acid
Wiley ID 1430690