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Phenol, 3-[(2-nitrophenyl)thio]-
SpectraBase Compound ID Ijxva2JzWUW
InChI InChI=1S/C12H9NO3S/c14-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(15)16/h1-8,14H
InChIKey XPWFTNMRUNJHHG-UHFFFAOYSA-N
Mol Weight 247.27 g/mol
Molecular Formula C12H9NO3S
Exact Mass 247.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B08nZV6TuHg
Name Phenol, 3-[(2-nitrophenyl)thio]-
Alternate Name(s) 3-Hydroxy-2'-nitrodiphenyl sulphide 3-[(2-Nitrophenyl)sulfanyl]phenol Phenol, m-[(o-nitrophenyl)thio]-
CAS Registry Number 76039-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO3S
InChI InChI=1S/C12H9NO3S/c14-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(15)16/h1-8,14H
InChIKey XPWFTNMRUNJHHG-UHFFFAOYSA-N
Molecular Weight 247.268 g/mol
SMILES Oc1cc(Sc2c(N(=O)=O)cccc2)ccc1
SPLASH splash10-0f89-0920000000-6ca2f8cbe49bcf900c5f
Source of Spectrum F-36-1814-0
Wiley ID 1249820