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(+-)-Benzyl 2-[(1R,2S)-2-octanoylcyclopropyl]acetate
SpectraBase Compound ID JLDDMmyIuz0
InChI InChI=1S/C20H28O3/c1-2-3-4-5-9-12-19(21)18-13-17(18)14-20(22)23-15-16-10-7-6-8-11-16/h6-8,10-11,17-18H,2-5,9,12-15H2,1H3/t17-,18+/m1/s1
InChIKey LEDHDKKHFOGWIU-MSOLQXFVSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BaoVQFJbLz
Name (+-)-Benzyl 2-[(1R,2S)-2-octanoylcyclopropyl]acetate
Alternate Name(s) benzyl[(1R,2S)-2-octanoylcyclopropyl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-2-3-4-5-9-12-19(21)18-13-17(18)14-20(22)23-15-16-10-7-6-8-11-16/h6-8,10-11,17-18H,2-5,9,12-15H2,1H3/t17-,18+/m1/s1
InChIKey LEDHDKKHFOGWIU-MSOLQXFVSA-N
Molecular Weight 316.441 g/mol
SMILES C(C[C@@]1([C@](C1)(C(CCCCCCC)=O)[H])[H])(=O)OCc1ccccc1
SPLASH splash10-000x-9070000000-dea09a97cb9f07c3627f
Source of Spectrum F-70-475-13
Wiley ID 1596065