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2-Allyloxy-2-phenyl-pent-4-enoic acid methyl ester

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

2-Allyloxy-2-phenyl-pent-4-enoic acid methyl ester
SpectraBase Compound ID KHbjtdlPofI
InChI InChI=1S/C15H18O3/c1-4-11-15(14(16)17-3,18-12-5-2)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3
InChIKey XHNHZKWAQHGWRQ-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GjN4AoOSVuB
Name 2-Allyloxy-2-phenyl-pent-4-enoic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.125594437 u
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-4-11-15(14(16)17-3,18-12-5-2)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3
InChIKey XHNHZKWAQHGWRQ-UHFFFAOYSA-N
Molecular Weight 246.306 g/mol
SMILES C(C(=O)OC)(C1=CC=CC=C1)(OCC=C)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893967