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PHENOL, 4-METHYL-2-NITRO-, ACETATE (ESTER)
SpectraBase Compound ID BcAya0bTaKk
InChI InChI=1S/C9H9NO4/c1-6-3-4-9(14-7(2)11)8(5-6)10(12)13/h3-5H,1-2H3
InChIKey XYPXZTXAYASBSV-UHFFFAOYSA-N
Mol Weight 195.17 g/mol
Molecular Formula C9H9NO4
Exact Mass 195.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H60svRiYsM2
Name 4-Methyl-2-nitrophenyl acetate
CAS Registry Number 54646-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4
InChI InChI=1S/C9H9NO4/c1-6-3-4-9(14-7(2)11)8(5-6)10(12)13/h3-5H,1-2H3
InChIKey XYPXZTXAYASBSV-UHFFFAOYSA-N
Molecular Weight 195.174 g/mol
SMILES c1c(c(cc(c1)C)N(=O)=O)OC(=O)C
SPLASH splash10-0udl-9800000000-b239a9b3266d609ced49
Source of Spectrum LQ-1992-2501-0
Synonyms (4-methyl-2-nitro-phenyl) ethanoate Acetic acid (4-methyl-2-nitro-phenyl) ester Phenol, 4-methyl-2-nitro-, acetate (ester) Acetic acid (4-methyl-2-nitrophenyl) ester (4-methyl-2-nitrophenyl) acetate
Wiley ID 1191859