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4-Nitro-m-cresol
SpectraBase Compound ID 21pDRs9NgH8
InChI InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3
InChIKey PIIZYNQECPTVEO-UHFFFAOYSA-N
Mol Weight 153.14 g/mol
Molecular Formula C7H7NO3
Exact Mass 153.042593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXt1pyL2R2S
Name p-Nitro-m-cresol
Source of Sample Metabolite of Fenitrothion
CAS Registry Number 2581-34-2
Classification Pesticides: Artifacts, Degradation product, Metabolites
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 153.042593086 u
Formula C7H7NO3
InChI InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3
InChIKey PIIZYNQECPTVEO-UHFFFAOYSA-N
Molecular Weight 153.137 g/mol
Number of Peaks 113
RI1 1588
SMILES Oc1cc(C)c(N(=O)=O)cc1
SPLASH splash10-0ugr-9400000000-15f5c7fc3072397546d3
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Phenol, 3-methyl-4-nitro-
Wiley ID LM_PEST_1056