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(ERYTHRO)-SERRICORNIN-ACETATE;7-ACETOXY-4,6-DIMETHYL-3-ONE;NATURAL
SpectraBase Compound ID 96IUPpPg4B1
InChI InChI=1S/C13H24O3/c1-6-12(15)9(3)8-10(4)13(7-2)16-11(5)14/h9-10,13H,6-8H2,1-5H3
InChIKey AUERNSKMEZMHFW-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Axhr4a7aMsr
Name 1-Ethyl-2,4-dimethyl-5-oxoheptyl acetate
CAS Registry Number 93218-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-6-12(15)9(3)8-10(4)13(7-2)16-11(5)14/h9-10,13H,6-8H2,1-5H3
InChIKey AUERNSKMEZMHFW-UHFFFAOYSA-N
Molecular Weight 228.332 g/mol
SMILES CC(=O)OC(CC)C(C)CC(C)C(CC)=O
SPLASH splash10-0a4u-9200000000-0ff6920d645a619c8ffe
Source of Spectrum PR-177-0-0
Synonyms (4,6-dimethyl-7-oxidanylidene-nonan-3-yl) ethanoate (4,6-dimethyl-7-oxononan-3-yl) acetate 4s,6R-Dimethyl-7R-acetoxy-3-nonanone 4S,6R-Dimethyl-7R-acetoxy-3-nonanone (Acetyl serricornin) 4s,6s-Dimethyl-7R-acetoxy-3-nonanone 4S,6S-Dimethyl-7R-acetoxy-3-nonanone (Acetyl serricornin) 4s,6s-Dimethyl-7s-acetoxy-3-nonanone 4s,6s-Dimethyl-7s-acetoxy-3-nonanone (acetyl serricornin) Acetic acid (1-ethyl-5-keto-2,4-dimethyl-heptyl) ester Acetic acid (4,6-dimethyl-7-oxononan-3-yl) ester
Wiley ID 1229780