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Bicyclo[4.1.0]heptane-7-acetaldehyde, 3-(acetyloxy)-7-(4-methyl-3-pentenyl)-, (1.alpha.,3.beta.,6.alpha.,7.beta.)-(.+-.)-
SpectraBase Compound ID 7HDYeqGB9eC
InChI InChI=1S/C17H26O3/c1-12(2)5-4-8-17(9-10-18)15-7-6-14(11-16(15)17)20-13(3)19/h5,10,14-16H,4,6-9,11H2,1-3H3/t14-,15+,16-,17+/m0/s1
InChIKey NBPBQWTWPOIGIZ-VVLHAWIVSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Wwhs9LtyH6
Name Bicyclo[4.1.0]heptane-7-acetaldehyde, 3-(acetyloxy)-7-(4-methyl-3-pentenyl)-, (1.alpha.,3.beta.,6.alpha.,7.beta.)-(.+-.)-
CAS Registry Number 97885-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-12(2)5-4-8-17(9-10-18)15-7-6-14(11-16(15)17)20-13(3)19/h5,10,14-16H,4,6-9,11H2,1-3H3/t14-,15+,16-,17+/m0/s1
InChIKey NBPBQWTWPOIGIZ-VVLHAWIVSA-N
Molecular Weight 278.392 g/mol
SMILES [C@]1([C@]2(C[C@@](OC(=O)C)(CC[C@@]12[H])[H])[H])(CC=O)CCC=C(C)C
SPLASH splash10-00lr-5390000000-99186845153aae494ce8
Source of Spectrum AJ-58-865-12
Synonyms (1S,3S,6R,7R)-7-(4-methyl-3-pentenyl)-7-(2-oxoethyl)bicyclo[4.1.0]hept-3-yl acetate endo-7-(2-oxoethyl)-exo-7-(4-methyl-3-pentenyl)bicyclo[4.1.0]hept-3-yl acetate
Wiley ID 1282306