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2,6-Di-tert-butyl-4-methylphenyl (2'R*,3'S*)-3'-hydroxy-2'-methyl-3'-phenylpropanoate
SpectraBase Compound ID 2pr1qCKoSm9
InChI InChI=1S/C25H34O3/c1-16-14-19(24(3,4)5)22(20(15-16)25(6,7)8)28-23(27)17(2)21(26)18-12-10-9-11-13-18/h9-15,17,21,26H,1-8H3/t17-,21+/m1/s1
InChIKey TXQNAPWVUCMXMD-UTKZUKDTSA-N
Mol Weight 382.5 g/mol
Molecular Formula C25H34O3
Exact Mass 382.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PwkzzhSrA
Name 2,6-Di-tert-butyl-4-methylphenyl (2'R*,3'S*)-3'-hydroxy-2'-methyl-3'-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O3
InChI InChI=1S/C25H34O3/c1-16-14-19(24(3,4)5)22(20(15-16)25(6,7)8)28-23(27)17(2)21(26)18-12-10-9-11-13-18/h9-15,17,21,26H,1-8H3/t17-,21+/m1/s1
InChIKey TXQNAPWVUCMXMD-UTKZUKDTSA-N
Molecular Weight 382.544 g/mol
SMILES O[C@@]([C@](C(Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)C)=O)(C)[H])(c1ccccc1)[H]
SPLASH splash10-05i0-2090000000-49ab6547fa2b36981231
Source of Spectrum K-2001-2991-35
Synonyms 2,6-Di-tert-butyl-4-methylphenyl (2'S*,3'R*)-3'-hydroxy-2'-methyl-3'-phenylpropanoate 2,6-Ditert-butyl-4-methylphenyl (2R,3S)-3-hydroxy-2-methyl-3-phenylpropanoate (2R,3S)-3-hydroxy-2-methyl-3-phenylpropanoic acid (2,6-ditert-butyl-4-methylphenyl) ester (2,6-ditert-butyl-4-methylphenyl) (2R,3S)-3-hydroxy-2-methyl-3-phenylpropanoate (2,6-ditert-butyl-4-methyl-phenyl) (2R,3S)-3-hydroxy-2-methyl-3-phenyl-propanoate (2,6-ditert-butyl-4-methyl-phenyl) (2R,3S)-2-methyl-3-oxidanyl-3-phenyl-propanoate
Wiley ID 1580056