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Oxiraneacetic acid, .alpha.-[2-(2-hydroxy-2-methylcyclohexyl)ethylidene]-, methyl ester, [1.alpha.[E(R*)],2.beta.]-(.+-.)-
SpectraBase Compound ID 4Te3JlcmWed
InChI InChI=1S/C14H22O4/c1-14(16)8-4-3-5-10(14)6-7-11(12-9-18-12)13(15)17-2/h7,10,12,16H,3-6,8-9H2,1-2H3/b11-7+/t10-,12-,14-/m1/s1
InChIKey MHWSKGGZGJPPRK-YLXDZAQUSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJ4QqJXpj5I
Name Oxiraneacetic acid, .alpha.-[2-(2-hydroxy-2-methylcyclohexyl)ethylidene]-, methyl ester, [1.alpha.[E(R*)],2.beta.]-(.+-.)-
CAS Registry Number 76215-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-14(16)8-4-3-5-10(14)6-7-11(12-9-18-12)13(15)17-2/h7,10,12,16H,3-6,8-9H2,1-2H3/b11-7+/t10-,12-,14-/m1/s1
InChIKey MHWSKGGZGJPPRK-YLXDZAQUSA-N
Molecular Weight 254.326 g/mol
SMILES O[C@]1([C@@](C\C=C/([C@@]2(OC2)[H])C(=O)OC)(CCCC1)[H])C
SPLASH splash10-0005-9200000000-7235379f9ed53fae3220
Source of Spectrum J-46-1203-0
Synonyms (+-)-[1-.alpha.[e(R*)],2-.beta.]-.alpha.-[2-(2-hydroxy-2-methylcyclohexyl)ethylidine]oxirane acetate Methyl (2E)-4-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-2-[(2S)-oxiranyl]-2-butenoate
Wiley ID 1257662