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2-Hydroxy-5-isothiocyanatobenzoic acid
SpectraBase Compound ID JbYEqLAtyt7
InChI InChI=1S/C8H5NO3S/c10-7-2-1-5(9-4-13)3-6(7)8(11)12/h1-3,10H,(H,11,12)
InChIKey FXIXLMKSTCAARZ-UHFFFAOYSA-N
Mol Weight 195.19 g/mol
Molecular Formula C8H5NO3S
Exact Mass 194.999014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvJOgVkGDqG
Name 2-Hydroxy-5-isothiocyanatobenzoic acid
Alternate Name(s) 5-isothiocyanato-2-oxidanyl-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO3S
InChI InChI=1S/C8H5NO3S/c10-7-2-1-5(9-4-13)3-6(7)8(11)12/h1-3,10H,(H,11,12)
InChIKey FXIXLMKSTCAARZ-UHFFFAOYSA-N
Molecular Weight 195.192 g/mol
SMILES OC(c1c(ccc(c1)N=C=S)O)=O
SPLASH splash10-004j-0900000000-0f063c482b4fe489b2c7
Source of Spectrum QF-48-2293-3
Wiley ID 834061