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trans-1-NITRO-2-PHENYLCYCLOHEXANE

View entire compound with spectra: 4 NMR, and 5 MS (GC)

trans-1-NITRO-2-PHENYLCYCLOHEXANE
SpectraBase Compound ID C4HE25RpL7j
InChI InChI=1S/C12H15NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKey JPUJWHOKGSAARG-UHFFFAOYSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvC4ZsiUlk0
Name (2-Nitrocyclohexyl)-benzene
CAS Registry Number 74221-87-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKey JPUJWHOKGSAARG-UHFFFAOYSA-N
Molecular Weight 205.257 g/mol
SMILES C1(N(=O)=O)C(c2ccccc2)CCCC1
SPLASH splash10-0006-9200000000-a466ac567b79acb0cc9b
Source of Spectrum KC-0-2087-0
Wiley ID 781861