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(1S,2R,5S)-Menthyl (R)-Mandelate
SpectraBase Compound ID 3jWvhOXAiqm
InChI InChI=1S/C18H26O3/c1-12(2)15-10-9-13(3)11-16(15)21-18(20)17(19)14-7-5-4-6-8-14/h4-8,12-13,15-17,19H,9-11H2,1-3H3/t13-,15?,16+,17?/m0/s1
InChIKey XEOQHVVLXIUVHB-MHABSNSOSA-N
Mol Weight 290.4 g/mol
Molecular Formula C18H26O3
Exact Mass 290.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9pioPdYbcR
Name (1S,2R,5S)-Menthyl (R)-Mandelate
Alternate Name(s) (1R,5S)-2-isopropyl-5-methylcyclohexyl hydroxy(phenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O3
InChI InChI=1S/C18H26O3/c1-12(2)15-10-9-13(3)11-16(15)21-18(20)17(19)14-7-5-4-6-8-14/h4-8,12-13,15-17,19H,9-11H2,1-3H3/t13-,15?,16+,17?/m0/s1
InChIKey XEOQHVVLXIUVHB-MHABSNSOSA-N
Molecular Weight 290.403 g/mol
SMILES OC(C(O[C@]1(C(CC[C@@](C1)(C)[H])C(C)C)[H])=O)c1ccccc1
SPLASH splash10-000i-3910000000-81eb7f622394b5888a9b
Source of Spectrum J-60-4459-5
Wiley ID 1293916