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2,5-Cyclooctadien-1-one, 7-(acetyloxy)-
SpectraBase Compound ID HJKMLIaEEO9
InChI InChI=1S/C10H12O3/c1-8(11)13-10-6-4-2-3-5-9(12)7-10/h3-6,10H,2,7H2,1H3/b5-3-,6-4-
InChIKey ZJYSRLFAIPDCIK-GLIMQPGKSA-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 4ZHNCdHCBFj
Name 2,5-Cyclooctadien-1-one, 7-(acetyloxy)-
Alternate Name(s) 7-Acetoxy-2,5-cyclooctadien-1-one 7-Oxo-2,5-cyclooctadien-1-yl acetate
CAS Registry Number 82388-09-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-8(11)13-10-6-4-2-3-5-9(12)7-10/h3-6,10H,2,7H2,1H3/b5-3-,6-4-
InChIKey ZJYSRLFAIPDCIK-GLIMQPGKSA-N
Molecular Weight 180.203 g/mol
SMILES C(OC1CC(\C=C/C\C=C/1)=O)(=O)C
SPLASH splash10-0006-9400000000-820a0e95d31bb28bb800
Source of Spectrum K-115-1423-0
Wiley ID 1176163