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syn-1,3-Bis(4-methylphenyl)-1,3-propanediol

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syn-1,3-Bis(4-methylphenyl)-1,3-propanediol
SpectraBase Compound ID ATKDtNqzSER
InChI InChI=1S/C17H20O2/c1-12-3-7-14(8-4-12)16(18)11-17(19)15-9-5-13(2)6-10-15/h3-10,16-19H,11H2,1-2H3
InChIKey HZVZEZVVBJBPCU-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 67dX4NU691e
Name syn-1,3-bis(4-Methylphenyl)-1,3-propanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.146329882 u
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-12-3-7-14(8-4-12)16(18)11-17(19)15-9-5-13(2)6-10-15/h3-10,16-19H,11H2,1-2H3
InChIKey HZVZEZVVBJBPCU-UHFFFAOYSA-N
Molecular Weight 256.345 g/mol
SMILES C(CC(O)C=1C=CC(=CC1)C)(O)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961273