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Tridecyl (E)-2-methylbut-2-enoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Tridecyl (E)-2-methylbut-2-enoate
SpectraBase Compound ID Kba5tlbHerU
InChI InChI=1S/C18H34O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(3)5-2/h5H,4,6-16H2,1-3H3/b17-5+
InChIKey NJKUPEIXLOEABR-YAXRCOADSA-N
Mol Weight 282.5 g/mol
Molecular Formula C18H34O2
Exact Mass 282.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3gpLC1ZOhOA
Name Tridecyl (E)-2-methylbut-2-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.255880333 u
Formula C18H34O2
InChI InChI=1S/C18H34O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(3)5-2/h5H,4,6-16H2,1-3H3/b17-5+
InChIKey NJKUPEIXLOEABR-YAXRCOADSA-N
Molecular Weight 282.468 g/mol
SMILES C(=O)(\C(C)=C\C)OCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951399