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A-Chloro-4-nitro-O-cresol

View entire compound with spectra: 6 NMR, 2 FTIR, and 2 MS (GC)

A-Chloro-4-nitro-O-cresol
SpectraBase Compound ID Q7rlPvzcIO
InChI InChI=1S/C7H6ClNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2
InChIKey PJNPZIYGODMAQE-UHFFFAOYSA-N
Mol Weight 187.58 g/mol
Molecular Formula C7H6ClNO3
Exact Mass 187.003621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pTe9vzeM4
Name 2-Chloromethyl-4-nitrophenol(.alpha.-chloro-p-nitro-o-cresol)
Alternate Name(s) 2-(chloromethyl)-4-nitro-phenol 2-Hidroxi-5-nitrobenzilclorura Phenol, 2-(chloromethyl)-4-nitro-
CAS Registry Number 2973-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClNO3
InChI InChI=1S/C7H6ClNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2
InChIKey PJNPZIYGODMAQE-UHFFFAOYSA-N
Molecular Weight 187.582 g/mol
SMILES Oc1ccc(cc1CCl)N(=O)=O
SPLASH splash10-0udi-9300000000-18bccad6ea954e266ec9
Wiley ID 1476796