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[1,1'-Biphenyl]-2-ol, 5-[2-[4-(benzoyloxy)phenyl]-1-ethylbutyl]-, benzoate, (R*,S*)-
SpectraBase Compound ID HPtNR0aMLb6
InChI InChI=1S/C38H34O4/c1-3-33(28-20-23-32(24-21-28)41-37(39)29-16-10-6-11-17-29)34(4-2)31-22-25-36(35(26-31)27-14-8-5-9-15-27)42-38(40)30-18-12-7-13-19-30/h5-26,33-34H,3-4H2,1-2H3
InChIKey BWCYFROJXYPNIB-UHFFFAOYSA-N
Mol Weight 554.7 g/mol
Molecular Formula C38H34O4
Exact Mass 554.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QRcTJyKkpq
Name [1,1'-Biphenyl]-2-ol, 5-[2-[4-(benzoyloxy)phenyl]-1-ethylbutyl]-, benzoate, (R*,S*)-
CAS Registry Number 55508-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H34O4
InChI InChI=1S/C38H34O4/c1-3-33(28-20-23-32(24-21-28)41-37(39)29-16-10-6-11-17-29)34(4-2)31-22-25-36(35(26-31)27-14-8-5-9-15-27)42-38(40)30-18-12-7-13-19-30/h5-26,33-34H,3-4H2,1-2H3
InChIKey BWCYFROJXYPNIB-UHFFFAOYSA-N
Molecular Weight 554.686 g/mol
SMILES c1(c(OC(=O)c2ccccc2)ccc(c1)C(C(c1ccc(OC(=O)c2ccccc2)cc1)CC)CC)-c1ccccc1
SPLASH splash10-0a4i-1912000000-86500eae852472e7e177
Source of Spectrum D-14-1738-0
Synonyms 3-Phenylhexestrol dibenzoate 5-{2-[4-(benzoyloxy)phenyl]-1-ethylbutyl}[1,1'-biphenyl]-2-yl benzoate
Wiley ID 1406265