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(S)-2-[(S)-1-(Furan-2-yl)-2-nitroethyl]-2-nitrocyclohexanone
SpectraBase Compound ID 7DqaBYlD7jv
InChI InChI=1S/C12H14N2O6/c15-11-5-1-2-6-12(11,14(18)19)9(8-13(16)17)10-4-3-7-20-10/h3-4,7,9H,1-2,5-6,8H2/t9-,12+/m1/s1
InChIKey IJUULUNGHVXLLL-SKDRFNHKSA-N
Mol Weight 282.25 g/mol
Molecular Formula C12H14N2O6
Exact Mass 282.085186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KDaascBFmy
Name (S)-2-[(S)-1-(Furan-2-yl)-2-nitroethyl]-2-nitrocyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O6
InChI InChI=1S/C12H14N2O6/c15-11-5-1-2-6-12(11,14(18)19)9(8-13(16)17)10-4-3-7-20-10/h3-4,7,9H,1-2,5-6,8H2/t9-,12+/m1/s1
InChIKey IJUULUNGHVXLLL-SKDRFNHKSA-N
Literature Reference DOI 10.1021/ol302005f
Molecular Weight 282.252 g/mol
SMILES c1([C@]([C@@]2(C(=O)CCCC2)[N+](=O)[O-])(C[N+](=O)[O-])[H])ccco1
SPLASH splash10-053u-9200000000-fc3453162034e0095b40
Source of Spectrum A1-14-4518/SMS17-7i
Synonyms (S)-2-((S)-1-(furan-2-yl)-2-nitroethyl)-2-nitrocyclohexanone
Wiley ID 1750589