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(1S,2R)-4-hydroxy-1,2-diphenylbutyl benzoate
SpectraBase Compound ID Kkc9qO4HQeF
InChI InChI=1S/C23H22O3/c24-17-16-21(18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)26-23(25)20-14-8-3-9-15-20/h1-15,21-22,24H,16-17H2/t21-,22-/m0/s1
InChIKey RJWZIAIBBUGHLF-VXKWHMMOSA-N
Mol Weight 346.43 g/mol
Molecular Formula C23H22O3
Exact Mass 346.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ChDHsQ2aF6
Name (1S,2R)-4-hydroxy-1,2-diphenylbutyl benzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.156894565 u
Formula C23H22O3
InChI InChI=1S/C23H22O3/c24-17-16-21(18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)26-23(25)20-14-8-3-9-15-20/h1-15,21-22,24H,16-17H2/t21-,22-/m0/s1
InChIKey RJWZIAIBBUGHLF-VXKWHMMOSA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801434
Molecular Weight 346.426 g/mol
Optical Rotation [a]D20 = -22.6 (c = 0.3, CH2Cl2)
Quality 116
Reported Formula C23H23O3
SMILES OCC[C@]([C@@](OC(C1=CC=CC=C1)=O)(C1=CC=CC=C1)[H])(C1=CC=CC=C1)[H]
SPLASH splash10-0a4i-3940000000-5e5474d091d89400bd74
Source of Spectrum QE-24-SM23-5s (DOI: 10.1002/chem.201801434)
Wiley ID 1900271