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1-Cyclohexenyl-3-methyl-2-nitrobenzene
SpectraBase Compound ID Brn6GRoy5TH
InChI InChI=1S/C13H15NO2/c1-10-6-5-9-12(13(10)14(15)16)11-7-3-2-4-8-11/h5-7,9H,2-4,8H2,1H3
InChIKey VWVXHGIZTJKYNP-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Dl79h893KU
Name 1-Cyclohexenyl-3-methyl-2-nitrobenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-10-6-5-9-12(13(10)14(15)16)11-7-3-2-4-8-11/h5-7,9H,2-4,8H2,1H3
InChIKey VWVXHGIZTJKYNP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol500876x
Molecular Weight 217.268 g/mol
SMILES c1cc(c([N+](=O)[O-])c(c1)C)C=1CCCCC1
SPLASH splash10-00di-0900000000-10e7ec6ad42f9f57b544
Source of Spectrum A1-16-2664/SMS7-3da
Synonyms 3'-methyl-2'-nitro-2,3,4,5-tetrahydro-1,1'-biphenyl
Wiley ID 1749487