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2-Cyclohexen-1-one, 6-(acetyloxy)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [S-(E)]-
SpectraBase Compound ID 6CHglcsJDH7
InChI InChI=1S/C15H20O4/c1-9(16)6-7-12-10(2)14(18)13(19-11(3)17)8-15(12,4)5/h6-7,13H,8H2,1-5H3/b7-6+/t13-/m0/s1
InChIKey BATPQHLSSCDHFO-YBJDMEARSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61PsgW1xrSt
Name 2-Cyclohexen-1-one, 6-(acetyloxy)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, [S-(E)]-
CAS Registry Number 74311-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-9(16)6-7-12-10(2)14(18)13(19-11(3)17)8-15(12,4)5/h6-7,13H,8H2,1-5H3/b7-6+/t13-/m0/s1
InChIKey BATPQHLSSCDHFO-YBJDMEARSA-N
Molecular Weight 264.321 g/mol
SMILES C1(=C(C(=O)[C@](CC1(C)C)(OC(=O)C)[H])C)\C=C\C(=O)C
SPLASH splash10-000f-6900000000-8dd0f01e9ac751d0cf7d
Source of Spectrum H-64-2432-0
Synonyms (1S)-3,5,5-trimethyl-2-oxo-4-[(1E)-3-oxo-1-butenyl]-3-cyclohexen-1-yl acetate (S)-[3,5,5-trimethyl-2-oxo-4-(3-oxo-1-butenyl)-3-cyclohexenyl]ester ofacetic acid
Wiley ID 1267948