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(1S,4R,5S,6S)-3-Formyl-5-nitro-4,6-diphenylcyclohex-2-enyl-acetate
SpectraBase Compound ID 7ZAHlfFxtho
InChI InChI=1S/C21H19NO5/c1-14(24)27-18-12-17(13-23)19(15-8-4-2-5-9-15)21(22(25)26)20(18)16-10-6-3-7-11-16/h2-13,18-21H,1H3/t18-,19+,20+,21-/m0/s1
InChIKey PMBDMJZCGKVRSV-BQJUDKOJSA-N
Mol Weight 365.39 g/mol
Molecular Formula C21H19NO5
Exact Mass 365.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwOkn9BvhQO
Name (1S,4R,5S,6S)-3-Formyl-5-nitro-4,6-diphenylcyclohex-2-enyl-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO5
InChI InChI=1S/C21H19NO5/c1-14(24)27-18-12-17(13-23)19(15-8-4-2-5-9-15)21(22(25)26)20(18)16-10-6-3-7-11-16/h2-13,18-21H,1H3/t18-,19+,20+,21-/m0/s1
InChIKey PMBDMJZCGKVRSV-BQJUDKOJSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 365.385 g/mol
SMILES [C@]1(OC(C)=O)([C@]([C@]([C@@](C(C=O)=C1)(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])[H]
SPLASH splash10-053r-0090000000-023a2013f08fd9103c76
Source of Spectrum ASC-350-267/SM7-6w
Synonyms (1'R,2'S,3'S,4'S)-6'-formyl-2'-nitro-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-4'-yl acetate
Wiley ID 1766021