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Benzene, 1-methyl-4-(1-nitrocyclohexyl)-
SpectraBase Compound ID InT6rqsW6GW
InChI InChI=1S/C13H17NO2/c1-11-5-7-12(8-6-11)13(14(15)16)9-3-2-4-10-13/h5-8H,2-4,9-10H2,1H3
InChIKey KRMVLBUGLMYAQJ-UHFFFAOYSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qUpUp66pIL
Name Benzene, 1-methyl-4-(1-nitrocyclohexyl)-
Alternate Name(s) 1-(p-methylphenyl)-1-nitrocyclohexane 1-Methyl-4-(1-nitrocyclohexyl)benzene
CAS Registry Number 78176-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-11-5-7-12(8-6-11)13(14(15)16)9-3-2-4-10-13/h5-8H,2-4,9-10H2,1H3
InChIKey KRMVLBUGLMYAQJ-UHFFFAOYSA-N
Molecular Weight 219.284 g/mol
SMILES C1(N(=O)=O)(c2ccc(cc2)C)CCCCC1
SPLASH splash10-0a4i-0900000000-4609360d79b8529753b7
Source of Spectrum B-38-719-3
Wiley ID 1218916