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Ethyl[(1S,2S,3S,4R)-2,4-Diformyl-3-(4-nitrophenyl)cyclohexyl]acetate
SpectraBase Compound ID DZfPAyi42Ez
InChI InChI=1S/C18H21NO6/c1-2-25-17(22)9-13-3-4-14(10-20)18(16(13)11-21)12-5-7-15(8-6-12)19(23)24/h5-8,10-11,13-14,16,18H,2-4,9H2,1H3/t13-,14-,16-,18-/m0/s1
InChIKey OHQSGPGAORAULI-DNUAJFIVSA-N
Mol Weight 347.37 g/mol
Molecular Formula C18H21NO6
Exact Mass 347.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57HnuCJLMd6
Name Ethyl[(1S,2S,3S,4R)-2,4-Diformyl-3-(4-nitrophenyl)cyclohexyl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO6
InChI InChI=1S/C18H21NO6/c1-2-25-17(22)9-13-3-4-14(10-20)18(16(13)11-21)12-5-7-15(8-6-12)19(23)24/h5-8,10-11,13-14,16,18H,2-4,9H2,1H3/t13-,14-,16-,18-/m0/s1
InChIKey OHQSGPGAORAULI-DNUAJFIVSA-N
Molecular Weight 347.367 g/mol
SMILES c1(N(=O)=O)ccc([C@@]2([C@]([C@](CC(=O)OCC)(CC[C@]2(C=O)[H])[H])(C=O)[H])[H])cc1
SPLASH splash10-00kr-9756000000-5f238f90f6270aeeb6db
Source of Spectrum F4-43-1891-3c
Wiley ID 1675691