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5-Hepten-3-yn-2-one, 7-(acetyloxy)-5-methyl-, (Z)-
SpectraBase Compound ID 7oMgA3TnpsW
InChI InChI=1S/C10H12O3/c1-8(4-5-9(2)11)6-7-13-10(3)12/h6H,7H2,1-3H3/b8-6-
InChIKey UZQHSWCCANURGV-VURMDHGXSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWxVyI6aocX
Name 5-Hepten-3-yn-2-one, 7-(acetyloxy)-5-methyl-, (Z)-
CAS Registry Number 122602-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-8(4-5-9(2)11)6-7-13-10(3)12/h6H,7H2,1-3H3/b8-6-
InChIKey UZQHSWCCANURGV-VURMDHGXSA-N
Molecular Weight 180.203 g/mol
SMILES C(#CC(=O)C)\C(=C/COC(=O)C)C
SPLASH splash10-052o-7900000000-445c70bc7586b00bbbd8
Source of Spectrum KC-1988-1377-21
Synonyms (2Z)-3-methyl-6-oxo-2-hepten-4-ynyl acetate cis-7-acetoxy-5-methylhept-5-en-3-yn-2-one
Wiley ID 1176244