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Methyl (E)-6-benzoyloxy-2-hexenoate

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Methyl (E)-6-benzoyloxy-2-hexenoate
SpectraBase Compound ID 7eePyQ0wH1u
InChI InChI=1S/C14H16O4/c1-17-13(15)10-6-3-7-11-18-14(16)12-8-4-2-5-9-12/h2,4-6,8-10H,3,7,11H2,1H3/b10-6+
InChIKey UCVCATRBIZCAOA-UXBLZVDNSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Wi9qVfDKkG
Name Methyl (E)-6-benzoyloxy-2-hexenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.104858991 u
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-17-13(15)10-6-3-7-11-18-14(16)12-8-4-2-5-9-12/h2,4-6,8-10H,3,7,11H2,1H3/b10-6+
InChIKey UCVCATRBIZCAOA-UXBLZVDNSA-N
Molecular Weight 248.278 g/mol
SMILES C(=O)(C1=CC=CC=C1)OCCC\C=C\C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932629