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1,3-Propanediol, di-trans-cinnamate

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

1,3-Propanediol, di-trans-cinnamate
SpectraBase Compound ID 7I8TLCoBPoD
InChI InChI=1S/C21H20O4/c22-20(14-12-18-8-3-1-4-9-18)24-16-7-17-25-21(23)15-13-19-10-5-2-6-11-19/h1-6,8-15H,7,16-17H2/b14-12+,15-13+
InChIKey LLHUCTVDBMDKQP-QUMQEAAQSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JKMlsiMHzIl
Name 1,3-Propanediol, di-trans-cinnamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.136159120 u
Formula C21H20O4
InChI InChI=1S/C21H20O4/c22-20(14-12-18-8-3-1-4-9-18)24-16-7-17-25-21(23)15-13-19-10-5-2-6-11-19/h1-6,8-15H,7,16-17H2/b14-12+,15-13+
InChIKey LLHUCTVDBMDKQP-QUMQEAAQSA-N
Molecular Weight 336.387 g/mol
SMILES C=1(\C=C\C(OCCCOC(\C=C\C=2C=CC=CC2)=O)=O)C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.992139