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(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
Mol Weight 422.6 g/mol
Molecular Formula C28H38O3
Exact Mass 422.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8D8BnGoVtT
Name (2S)-2-[(2R)-2-benzoxy-2-phenyl-ethyl]-4,4-dimethyl-valeric acid cyclohexyl ester
Alternate Name(s) (2S)-4,4-dimethyl-2-[(2R)-2-phenyl-2-phenylmethoxyethyl]pentanoic acid cyclohexyl ester cyclohexyl (2S)-4,4-dimethyl-2-[(2R)-2-phenyl-2-phenylmethoxy-ethyl]pentanoate cyclohexyl (2S)-4,4-dimethyl-2-[(2R)-2-phenyl-2-phenylmethoxyethyl]pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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@@](OCc1ccccc1)(c1ccccc1)[H])(CC(C)(C)C)[H])(OC1CCCCC1)=O
SPLASH splash10-0006-9420000000-39111d9cb8ffcfc5613a
Source of Spectrum K-2002-2537-65
Wiley ID 1613194