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(S)-2-Nitro-2-[(S)-2-nitro-1-p-tolylethyl]cyclohexanone
SpectraBase Compound ID Fege4ih2S0o
InChI InChI=1S/C15H18N2O5/c1-11-5-7-12(8-6-11)13(10-16(19)20)15(17(21)22)9-3-2-4-14(15)18/h5-8,13H,2-4,9-10H2,1H3/t13-,15+/m1/s1
InChIKey XFAWIOGMGQGREX-HIFRSBDPSA-N
Mol Weight 306.32 g/mol
Molecular Formula C15H18N2O5
Exact Mass 306.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfOszvHh95F
Name (S)-2-Nitro-2-[(S)-2-nitro-1-p-tolylethyl]cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O5
InChI InChI=1S/C15H18N2O5/c1-11-5-7-12(8-6-11)13(10-16(19)20)15(17(21)22)9-3-2-4-14(15)18/h5-8,13H,2-4,9-10H2,1H3/t13-,15+/m1/s1
InChIKey XFAWIOGMGQGREX-HIFRSBDPSA-N
Literature Reference DOI 10.1021/ol302005f
Molecular Weight 306.318 g/mol
SMILES c1c(ccc(c1)[C@]([C@]1(CCCCC1=O)[N+](=O)[O-])(C[N+](=O)[O-])[H])C
SPLASH splash10-0cfu-5920000000-d53198b992c227efb897
Source of Spectrum A1-14-4518/SMS17-7h
Synonyms (S)-2-nitro-2-((S)-2-nitro-1-(p-tolyl)ethyl)cyclohexanone
Wiley ID 1750588