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Benzeneacetic acid, 4-(1,1-dimethylethyl)-.alpha.,2-dihydroxy-.alpha.-methyl-, cyclohexyl ester, (R)-
SpectraBase Compound ID GXV3sgpHKZ
InChI InChI=1S/C19H28O4/c1-18(2,3)13-10-11-15(16(20)12-13)19(4,22)17(21)23-14-8-6-5-7-9-14/h10-12,14,20,22H,5-9H2,1-4H3/t19-/m1/s1
InChIKey KFMBRIPNETTZAN-LJQANCHMSA-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 3geVMJHSfSt
Name Benzeneacetic acid, 4-(1,1-dimethylethyl)-.alpha.,2-dihydroxy-.alpha.-methyl-, cyclohexyl ester, (R)-
CAS Registry Number 113351-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-18(2,3)13-10-11-15(16(20)12-13)19(4,22)17(21)23-14-8-6-5-7-9-14/h10-12,14,20,22H,5-9H2,1-4H3/t19-/m1/s1
InChIKey KFMBRIPNETTZAN-LJQANCHMSA-N
Molecular Weight 320.429 g/mol
SMILES O[C@](c1c(cc(cc1)C(C)(C)C)O)(C(OC1CCCCC1)=O)C
SPLASH splash10-0006-0900000000-890d33b40694b65110c2
Source of Spectrum J-53-1783-0
Synonyms cyclohexyl (2R)-2-(4-tert-butyl-2-hydroxyphenyl)-2-hydroxypropanoate
Wiley ID 1320279