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(S)-1-((3S,6R)-3-Isopropyl-6-methylcyclohex-1-enyl)but-3-yn-2-yl acetate
SpectraBase Compound ID LAjgx78T7uN
InChI InChI=1S/C16H24O2/c1-6-16(18-13(5)17)10-15-9-14(11(2)3)8-7-12(15)4/h1,9,11-12,14,16H,7-8,10H2,2-5H3/t12-,14-,16-/m1/s1
InChIKey KDYYFDBZNRUQQY-XNRPHZJLSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UwRy8e9Ds
Name (S)-1-((3S,6R)-3-Isopropyl-6-methylcyclohex-1-enyl)but-3-yn-2-yl acetate
Alternate Name(s) (1S)-1-{[(3S,6R)-3-isopropyl-6-methyl-1-cyclohexen-1-yl]methyl}-2-propynyl acetate Acetic acid [(2S)-1-[(3S,6R)-6-methyl-3-propan-2-yl-1-cyclohexenyl]but-3-yn-2-yl] ester [(2S)-1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]but-3-yn-2-yl] acetate [(1S)-1-[[(3S,6R)-3-isopropyl-6-methyl-cyclohexen-1-yl]methyl]prop-2-ynyl] acetate [(2S)-1-[(3S,6R)-6-methyl-3-propan-2-yl-cyclohexen-1-yl]but-3-yn-2-yl] ethanoate
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Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-6-16(18-13(5)17)10-15-9-14(11(2)3)8-7-12(15)4/h1,9,11-12,14,16H,7-8,10H2,2-5H3/t12-,14-,16-/m1/s1
InChIKey KDYYFDBZNRUQQY-XNRPHZJLSA-N
Molecular Weight 248.366 g/mol
SMILES C1(=C[C@](C(C)C)(CC[C@]1(C)[H])[H])C[C@@](C#C)(OC(=O)C)[H]
SPLASH splash10-0005-5900000000-ffbbdfd2bd48afaede3f
Source of Spectrum QE-12-3014-26
Wiley ID 1586895