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(Trans)-coniferyl alcohol - benzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(Trans)-coniferyl alcohol - benzoate
SpectraBase Compound ID GwFGvYmCCfo
InChI InChI=1S/C17H16O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3/b6-5+
InChIKey LAAPRQODJPXAHC-AATRIKPKSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IY2y2wFoemC
Name (Trans)-coniferyl alcohol - benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.104858991 u
Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3/b6-5+
InChIKey LAAPRQODJPXAHC-AATRIKPKSA-N
SMILES C(=O)(C1=CC=CC=C1)OC\C=C\C=1C=C(OC)C(=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974156