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PHENYLNITROMETHANE
SpectraBase Compound ID FcF5Sg45o2H
InChI InChI=1S/C7H7NO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey VLZLOWPYUQHHCG-UHFFFAOYSA-N
Mol Weight 137.14 g/mol
Molecular Formula C7H7NO2
Exact Mass 137.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoFBLA83Jvx
Name Benzene, (nitromethyl)-
CAS Registry Number 622-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey VLZLOWPYUQHHCG-UHFFFAOYSA-N
Molecular Weight 137.138 g/mol
SMILES C(N(=O)=O)c1ccccc1
SPLASH splash10-0006-9000000000-0d04bb7deeb5a20837ca
Source of Spectrum N4-1968-73-91
Synonyms .alpha.-Nitrotoluene Nitromethylbenzene Nitrophenylmethane Phenylnitromethane Toluene, .alpha.-nitro- NSC 3439
Wiley ID 1137194