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4-CHLORO-3,5-DIMETHYL-PHENYL-NITRO-METHANE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-CHLORO-3,5-DIMETHYL-PHENYL-NITRO-METHANE
SpectraBase Compound ID ELFCTuIsroY
InChI InChI=1S/C9H10ClNO2/c1-6-3-8(5-11(12)13)4-7(2)9(6)10/h3-4H,5H2,1-2H3
InChIKey KYONYJZHTDSNGJ-UHFFFAOYSA-N
Mol Weight 199.64 g/mol
Molecular Formula C9H10ClNO2
Exact Mass 199.040006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvzJiuBojsi
Name Benzene, 2-chloro-1,3-dimethyl-5-(nitromethyl)-
Alternate Name(s) 2-Chloro-1,3-dimethyl-5-(nitromethyl)benzene 4-Chloro-3,5-dimethylphenylnitromethane
CAS Registry Number 67396-87-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10ClNO2
InChI InChI=1S/C9H10ClNO2/c1-6-3-8(5-11(12)13)4-7(2)9(6)10/h3-4H,5H2,1-2H3
InChIKey KYONYJZHTDSNGJ-UHFFFAOYSA-N
Molecular Weight 199.637 g/mol
SMILES C(N(=O)=O)c1cc(C)c(c(c1)C)Cl
SPLASH splash10-0udi-0900000000-2c3d34fdd7260a1d3749
Source of Spectrum I-56-1355-0
Wiley ID 1196518