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3-(4-Methoxyphenylmethylene)-2-methyl-2,5-pentanediol

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

3-(4-Methoxyphenylmethylene)-2-methyl-2,5-pentanediol
SpectraBase Compound ID JPYTQThVP2D
InChI InChI=1S/C14H20O3/c1-14(2,16)12(8-9-15)10-11-4-6-13(17-3)7-5-11/h4-7,10,15-16H,8-9H2,1-3H3/b12-10-
InChIKey IVJGKPRKTVYMCO-BENRWUELSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dg1nP2Q1zAk
Name 3-(4-Methoxyphenylmethylene)-2-methyl-2,5-pentanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.141244501 u
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-14(2,16)12(8-9-15)10-11-4-6-13(17-3)7-5-11/h4-7,10,15-16H,8-9H2,1-3H3/b12-10-
InChIKey IVJGKPRKTVYMCO-BENRWUELSA-N
Molecular Weight 236.311 g/mol
SMILES C=1(\C=C/(C(O)(C)C)CCO)C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961944