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3,5-Dimethyl-4-prop-2-enoxybenzoic acid prop-2-enyl ester

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

3,5-Dimethyl-4-prop-2-enoxybenzoic acid prop-2-enyl ester
SpectraBase Compound ID 2Ff9J5LudUl
InChI InChI=1S/C15H18O3/c1-5-7-17-14-11(3)9-13(10-12(14)4)15(16)18-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKey DTUHPETWTBALOS-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 45sbULMnQzn
Name 3,5-Dimethyl-4-prop-2-enoxybenzoic acid prop-2-enyl 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/c1-5-7-17-14-11(3)9-13(10-12(14)4)15(16)18-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKey DTUHPETWTBALOS-UHFFFAOYSA-N
Molecular Weight 246.306 g/mol
SMILES C=1(C(=O)OCC=C)C=C(C)C(=C(C1)C)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881528