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Benzene, [(2-nitrocyclohexyl)methyl]-, cis-
SpectraBase Compound ID 6m4uNU6wjo6
InChI InChI=1S/C13H17NO2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13-/m0/s1
InChIKey WVIDEUZAFMEQMK-STQMWFEESA-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 IH5JALJBLnk
Name Benzene, [(2-nitrocyclohexyl)methyl]-, cis-
Alternate Name(s) {[(1S,2S)-2-nitrocyclohexyl]methyl}benzene
CAS Registry Number 118921-51-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13-/m0/s1
InChIKey WVIDEUZAFMEQMK-STQMWFEESA-N
Molecular Weight 219.284 g/mol
SMILES [C@]1(N(=O)=O)([C@](Cc2ccccc2)(CCCC1)[H])[H]
SPLASH splash10-0006-9400000000-7c36962ac286b452155c
Source of Spectrum J-54-2395-16
Wiley ID 1218924