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1,3-Cyclohexadiene-1-carboxylic acid, 6-[1-(acetyloxy)-1-methylethyl]-, methyl ester, (S)-
SpectraBase Compound ID DvRm68lwXtR
InChI InChI=1S/C13H18O4/c1-9(14)17-13(2,3)11-8-6-5-7-10(11)12(15)16-4/h5-7,11H,8H2,1-4H3/t11-/m0/s1
InChIKey MFKXOELSQWQUEO-NSHDSACASA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4e7hxKXtLY3
Name 1,3-Cyclohexadiene-1-carboxylic acid, 6-[1-(acetyloxy)-1-methylethyl]-, methyl ester, (S)-
CAS Registry Number 59555-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-9(14)17-13(2,3)11-8-6-5-7-10(11)12(15)16-4/h5-7,11H,8H2,1-4H3/t11-/m0/s1
InChIKey MFKXOELSQWQUEO-NSHDSACASA-N
Molecular Weight 238.283 g/mol
SMILES C=1([C@@](C(OC(=O)C)(C)C)(CC=CC1)[H])C(=O)OC
SPLASH splash10-000j-1900000000-0628ffe5f8768a8fddf8
Source of Spectrum KC-1976-488-0
Synonyms Methyl (6S)-6-[1-(acetyloxy)-1-methylethyl]-1,3-cyclohexadiene-1-carboxylate Methyl 8-acetoxy-O-mentha-1,3-diene-7-oate
Wiley ID 1240468