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2-Cyclohexen-1-one, 4-[3-(acetyloxy)butyl]-3,5,5-trimethyl-, (R*,R*)-(.+-.)-
SpectraBase Compound ID FAciuZUxjXb
InChI InChI=1S/C15H24O3/c1-10-8-13(17)9-15(4,5)14(10)7-6-11(2)18-12(3)16/h8,11,14H,6-7,9H2,1-5H3/t11-,14+/m1/s1
InChIKey CHDWWZDJMGTCDC-RISCZKNCSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwGZXvyfAEc
Name 2-Cyclohexen-1-one, 4-[3-(acetyloxy)butyl]-3,5,5-trimethyl-, (R*,R*)-(.+-.)-
CAS Registry Number 52670-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-10-8-13(17)9-15(4,5)14(10)7-6-11(2)18-12(3)16/h8,11,14H,6-7,9H2,1-5H3/t11-,14+/m1/s1
InChIKey CHDWWZDJMGTCDC-RISCZKNCSA-N
Molecular Weight 252.354 g/mol
SMILES C=1([C@@](C(C)(C)CC(C1)=O)(CC[C@](OC(=O)C)(C)[H])[H])C
SPLASH splash10-000f-5900000000-d3dbc84efc1359780876
Source of Spectrum SB-28-287-91
Synonyms (1R)-1-methyl-3-[(1R)-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]propyl acetate (9R)-9-Acetoxy-4-megastigmen-3-one
Wiley ID 1255783