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Benzeneacetic acid, .alpha.,2-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(R*),2.beta.,5.alpha.]]-

View entire compound with spectra: 1 MS (GC)

Benzeneacetic acid, .alpha.,2-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(R*),2.beta.,5.alpha.]]-
SpectraBase Compound ID 6DT7EhdsAIU
InChI InChI=1S/C19H28O4/c1-12(2)14-10-9-13(3)11-17(14)23-18(21)19(4,22)15-7-5-6-8-16(15)20/h5-8,12-14,17,20,22H,9-11H2,1-4H3/t13-,14+,17-,19+/m0/s1
InChIKey NAILHKJJEOYQNE-BDEJMISXSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2isGZ5VShLr
Name Benzeneacetic acid, .alpha.,2-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(R*),2.beta.,5.alpha.]]-
Alternate Name(s) (1S,2R,5S)-2-isopropyl-5-methylcyclohexyl (2R)-2-hydroxy-2-(2-hydroxyphenyl)propanoate
CAS Registry Number 113322-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-12(2)14-10-9-13(3)11-17(14)23-18(21)19(4,22)15-7-5-6-8-16(15)20/h5-8,12-14,17,20,22H,9-11H2,1-4H3/t13-,14+,17-,19+/m0/s1
InChIKey NAILHKJJEOYQNE-BDEJMISXSA-N
Molecular Weight 320.429 g/mol
SMILES Oc1c([C@](C(O[C@@]2([C@](CC[C@@](C2)(C)[H])(C(C)C)[H])[H])=O)(O)C)cccc1
SPLASH splash10-0079-0900000000-260f3b243994ed7beedf
Source of Spectrum J-53-1784-4
Wiley ID 1320280