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2-Cyclohexen-1-one, 6-(acetyloxy)-3-[5-(acetyloxy)-3-methyl-3-penten-1-ynyl]-2,4,4-trimethyl-, [S-(E)]-
SpectraBase Compound ID 3GdE9HQIeSK
InChI InChI=1S/C19H24O5/c1-12(9-10-23-14(3)20)7-8-16-13(2)18(22)17(24-15(4)21)11-19(16,5)6/h9,17H,10-11H2,1-6H3/b12-9+/t17-/m0/s1
InChIKey FVBWYILJKKRVKA-KQPPXVQYSA-N
Mol Weight 332.4 g/mol
Molecular Formula C19H24O5
Exact Mass 332.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15vXLhN1Z4d
Name 2-Cyclohexen-1-one, 6-(acetyloxy)-3-[5-(acetyloxy)-3-methyl-3-penten-1-ynyl]-2,4,4-trimethyl-, [S-(E)]-
CAS Registry Number 80713-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O5
InChI InChI=1S/C19H24O5/c1-12(9-10-23-14(3)20)7-8-16-13(2)18(22)17(24-15(4)21)11-19(16,5)6/h9,17H,10-11H2,1-6H3/b12-9+/t17-/m0/s1
InChIKey FVBWYILJKKRVKA-KQPPXVQYSA-N
Molecular Weight 332.396 g/mol
SMILES C1(=C(C(=O)[C@](CC1(C)C)(OC(=O)C)[H])C)C#C\C(=C\COC(=O)C)C
SPLASH splash10-0f6x-9560000000-bc6f4f7082f216c89b7c
Source of Spectrum H-64-2416-0
Synonyms (1S)-4-[(3E)-5-(acetyloxy)-3-methyl-3-penten-1-ynyl]-3,5,5-trimethyl-2-oxo-3-cyclohexen-1-yl acetate (S)-[4-((E)-5-acetoxy-3-methyl-3-penten-1-inyl)-3,5,5-trimethyl-2-oxo-3-cyclohexen-1-yl]ester of acetic acid
Wiley ID 1329472