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1-Cyclohexene-1-propanoic acid, 5-(acetyloxy)-2,6,6-trimethyl-, methyl ester, (S)-
SpectraBase Compound ID 9Wo1hiW2RBa
InChI InChI=1S/C15H24O4/c1-10-6-8-13(19-11(2)16)15(3,4)12(10)7-9-14(17)18-5/h13H,6-9H2,1-5H3/t13-/m0/s1
InChIKey AYVAOZKBWMTPDC-ZDUSSCGKSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFJOxiUzHZ2
Name 1-Cyclohexene-1-propanoic acid, 5-(acetyloxy)-2,6,6-trimethyl-, methyl ester, (S)-
CAS Registry Number 79400-51-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-10-6-8-13(19-11(2)16)15(3,4)12(10)7-9-14(17)18-5/h13H,6-9H2,1-5H3/t13-/m0/s1
InChIKey AYVAOZKBWMTPDC-ZDUSSCGKSA-N
Molecular Weight 268.353 g/mol
SMILES C=1(C([C@@](OC(=O)C)(CCC1C)[H])(C)C)CCC(=O)OC
SPLASH splash10-00xu-2910000000-bbe41e4958562bf5ff96
Source of Spectrum H-64-950-0
Synonyms (-)-(5'S)-Methyl-3-(5'-acetoxy-2',6',6-trimethyl-1'-cyclohexenyl)propionate Methyl 3-[(5S)-5-(acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]propanoate
Wiley ID 1272157