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2-Hydroxy-1,2,2-triphenylethyl (1'R,3S)-3-hydroxyhexanoate
SpectraBase Compound ID 91ddtBhrB8O
InChI InChI=1S/C26H28O4/c1-2-12-22(27)24(28)26(29)30-25(21-17-10-5-11-18-21)23(19-13-6-3-7-14-19)20-15-8-4-9-16-20/h3-11,13-18,22-25,27-28H,2,12H2,1H3/t22-,24?,25-/m0/s1
InChIKey PRGJSNKJXZTWOA-HSPGVUBUSA-N
Mol Weight 404.51 g/mol
Molecular Formula C26H28O4
Exact Mass 404.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNM8DQr9t6Q
Name 2-Hydroxy-1,2,2-triphenylethyl (1'R,3S)-3-hydroxyhexanoate
Alternate Name(s) (1R)-1,2,2-triphenylethyl (3S)-2,3-dihydroxyhexanoate
CAS Registry Number 110744-11-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O4
InChI InChI=1S/C26H28O4/c1-2-12-22(27)24(28)26(29)30-25(21-17-10-5-11-18-21)23(19-13-6-3-7-14-19)20-15-8-4-9-16-20/h3-11,13-18,22-25,27-28H,2,12H2,1H3/t22-,24?,25-/m0/s1
InChIKey PRGJSNKJXZTWOA-HSPGVUBUSA-N
Molecular Weight 404.506 g/mol
SMILES O[C@](C(C(O[C@](C(c1ccccc1)c1ccccc1)(c1ccccc1)[H])=O)O)(CCC)[H]
SPLASH splash10-001i-1900000000-f8fd57be04b55c15d969
Source of Spectrum K-121-405-9
Wiley ID 1371540