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Isopulegyl acetate<iso->
SpectraBase Compound ID 6iWYUh60oqc
InChI InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12+/m1/s1
InChIKey HLHIVJRLODSUCI-JLLWLGSASA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tr90EEQUob
Name Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, (1.alpha.,2.beta.,5.beta.)-(.+-.)-
CAS Registry Number 109010-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12+/m1/s1
InChIKey HLHIVJRLODSUCI-JLLWLGSASA-N
Molecular Weight 196.290 g/mol
SMILES [C@@]1([C@@](C(=C)C)(CC[C@](C1)(C)[H])[H])(OC(=O)C)[H]
SPLASH splash10-0006-9200000000-9a76cefc6f5b112f7244
Source of Spectrum UT-1990-1306-0
Synonyms (.+-.)-Isoisopulegyl acetate 1R-(1.alpha.,2.beta.,5.beta.)-5-methyl-2-(1-methylethenyl)cyclohexanol Acetic acid[(1S,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]ester Acetic acid[(1S,2R,5R)-5-methyl-2-(1-methylethenyl)cyclohexyl]ester Iso-isopulegyl acetate [(1S,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]acetate [(1S,2R,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexyl]ethanoate [(1S,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]acetate
Wiley ID 1193569