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(1S,2S)-Ethyl -2-formylcyclohexane-1-acetate
SpectraBase Compound ID Grbh7ARQAzy
InChI InChI=1S/C11H18O3/c1-2-14-11(13)7-9-5-3-4-6-10(9)8-12/h8-10H,2-7H2,1H3/t9-,10+/m0/s1
InChIKey POJJDKSYSWWWKE-VHSXEESVSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sGjJICjqK
Name (1S,2S)-Ethyl -2-formylcyclohexane-1-acetate
Alternate Name(s) Ethyl -2-formylcyclohexane-1-acetate Ethyl[(1S,2S)-2-formylcyclohexyl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-2-14-11(13)7-9-5-3-4-6-10(9)8-12/h8-10H,2-7H2,1H3/t9-,10+/m0/s1
InChIKey POJJDKSYSWWWKE-VHSXEESVSA-N
Molecular Weight 198.262 g/mol
SMILES C(C[C@]1([C@@](C=O)(CCCC1)[H])[H])(=O)OCC
SPLASH splash10-000b-1900000000-e7ac57a4d053524257ee
Source of Spectrum E1-39-2802-23
Wiley ID 1519095