For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3R,5S)-5-Acetoxy-3-isopropenyl-6-oxo-heptanal
SpectraBase Compound ID HFfoGiWucXN
InChI InChI=1S/C12H18O4/c1-8(2)11(5-6-13)7-12(9(3)14)16-10(4)15/h6,11-12H,1,5,7H2,2-4H3/t11-,12-/m0/s1
InChIKey HQTBXJKMMLCKNI-RYUDHWBXSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CuxYGK54BEE
Name (3R,5S)-5-Acetoxy-3-isopropenyl-6-oxo-heptanal
Alternate Name(s) (1S,3R)-1-acetyl-4-methyl-3-(2-oxoethyl)-4-pentenyl acetate Acetic acid[(1S,3R)-1-acetyl-3-(2-ketoethyl)-4-methyl-pent-4-enyl]ester Acetic acid[(3S,5R)-6-methyl-2-oxo-5-(2-oxoethyl)hept-6-en-3-yl]ester [(1S,3R)-1-acetyl-4-methyl-3-(2-oxoethyl)pent-4-enyl]acetate [(3S,5R)-6-methyl-2-oxidanylidene-5-(2-oxidanylideneethyl)hept-6-en-3-yl]ethanoate [(3S,5R)-6-methyl-2-oxo-5-(2-oxoethyl)hept-6-en-3-yl]acetate Acetic acid [(3S,5R)-6-methyl-2-oxo-5-(2-oxoethyl)hept-6-en-3-yl] ester [(3S,5R)-6-methyl-2-oxo-5-(2-oxoethyl)hept-6-en-3-yl] acetate [(1S,3R)-1-acetyl-4-methyl-3-(2-oxoethyl)pent-4-enyl] acetate [(3S,5R)-6-methyl-2-oxidanylidene-5-(2-oxidanylideneethyl)hept-6-en-3-yl] ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-8(2)11(5-6-13)7-12(9(3)14)16-10(4)15/h6,11-12H,1,5,7H2,2-4H3/t11-,12-/m0/s1
InChIKey HQTBXJKMMLCKNI-RYUDHWBXSA-N
Molecular Weight 226.272 g/mol
SMILES [C@@](OC(=O)C)(C[C@@](C(=C)C)(CC=O)[H])(C(=O)C)[H]
SPLASH splash10-006x-9500000000-1aea8a27d7fb83398a83
Source of Spectrum SO-0-395-8
Wiley ID 864291