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(1S,4S)-1,4-diphenylbutane-1,4-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(1S,4S)-1,4-diphenylbutane-1,4-diol
SpectraBase Compound ID FwzGGHBZyBo
InChI InChI=1S/C16H18O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-/m0/s1
InChIKey FPJCDQHWOJGOKB-HOTGVXAUSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9BLDxrhKsaE
Name (1S,4S)-1,4-Diphenylbutane-1,4-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.130679818 u
Formula C16H18O2
InChI InChI=1S/C16H18O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-/m0/s1
InChIKey FPJCDQHWOJGOKB-HOTGVXAUSA-N
Molecular Weight 242.318 g/mol
SMILES C(C[C@@](C1=CC=CC=C1)(O)[H])[C@@](C=1C=CC=CC1)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819909