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(S)-3-Ethynyl-2,4,4-trimethylcyclohex-2-en-1-yl - Acetate
SpectraBase Compound ID 5RiBe09Fl2c
InChI InChI=1S/C13H18O2/c1-6-11-9(2)12(15-10(3)14)7-8-13(11,4)5/h1,12H,7-8H2,2-5H3/t12-/m0/s1
InChIKey MLEHFJGWUPHMPX-LBPRGKRZSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsfAWpskmgc
Name (S)-3-Ethynyl-2,4,4-trimethylcyclohex-2-en-1-yl - Acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-6-11-9(2)12(15-10(3)14)7-8-13(11,4)5/h1,12H,7-8H2,2-5H3/t12-/m0/s1
InChIKey MLEHFJGWUPHMPX-LBPRGKRZSA-N
Molecular Weight 206.285 g/mol
SMILES C1(=C([C@@](OC(=O)C)(CCC1(C)C)[H])C)C#C
SPLASH splash10-00pi-2900000000-a3c2831cbf759f79d905
Source of Spectrum F5-4-161-S--21
Synonyms (S)-3-ethynyl-2,4,4-trimethylcyclohex-2-en-1-yl acetate Acetic acid [(1S)-3-ethynyl-2,4,4-trimethyl-1-cyclohex-2-enyl] ester [(1S)-3-ethynyl-2,4,4-trimethylcyclohex-2-en-1-yl] acetate [(1S)-3-ethynyl-2,4,4-trimethyl-cyclohex-2-en-1-yl] acetate [(1S)-3-ethynyl-2,4,4-trimethyl-cyclohex-2-en-1-yl] ethanoate
Wiley ID 1732616