(2S)-2-[(2R)-2-benzoxy-2-phenyl-ethyl]-4,4-dimethyl-valeric acid cyclohexyl ester

SpectraBase Compound ID	38KaXYIYcZF
InChI	InChI=1S/C28H38O3/c1-28(2,3)20-24(27(29)31-25-17-11-6-12-18-25)19-26(23-15-9-5-10-16-23)30-21-22-13-7-4-8-14-22/h4-5,7-10,13-16,24-26H,6,11-12,17-21H2,1-3H3/t24-,26-/m1/s1
InChIKey	XNSJRLCCDKPCBE-AOYPEHQESA-N Google Search
Mol Weight	422.6 g/mol
Molecular Formula	C28H38O3
Exact Mass	422.282095 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	J6Uo76AnxB4
Name	(2S)-2-[(2R)-2-Benzoxy-2-phenyl-ethyl]-4,4-dimethyl-valeric acid cyclohexyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	422.282095081 u
Formula	C28H38O3
InChI	InChI=1S/C28H38O3/c1-28(2,3)20-24(27(29)31-25-17-11-6-12-18-25)19-26(23-15-9-5-10-16-23)30-21-22-13-7-4-8-14-22/h4-5,7-10,13-16,24-26H,6,11-12,17-21H2,1-3H3/t24-,26-/m1/s1
InChIKey	XNSJRLCCDKPCBE-AOYPEHQESA-N
Molecular Weight	422.609 g/mol
SMILES	C([C@](C[C@@](OCC1=CC=CC=C1)(C=1C=CC=CC1)[H])(CC(C)(C)C)[H])(OC1CCCCC1)=O