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1,2-bis(4-Methylphenyl)ethane-1,2-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

1,2-bis(4-Methylphenyl)ethane-1,2-diol
SpectraBase Compound ID 5ErV45KqiAn
InChI InChI=1S/C16H18O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15-18H,1-2H3
InChIKey ZYLCBIATOIJBEH-UHFFFAOYSA-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 94DFdO7CQDi
Name 1,2-bis(4-Methylphenyl)ethane-1,2-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/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15-18H,1-2H3
InChIKey ZYLCBIATOIJBEH-UHFFFAOYSA-N
Molecular Weight 242.318 g/mol
SMILES C(C(O)C=1C=CC(=CC1)C)(O)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928483