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2-Heptenoic acid, undecyl ester

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

2-Heptenoic acid, undecyl ester
SpectraBase Compound ID 99c126gMR1O
InChI InChI=1S/C18H34O2/c1-3-5-7-9-10-11-12-13-15-17-20-18(19)16-14-8-6-4-2/h14,16H,3-13,15,17H2,1-2H3/b16-14+
InChIKey VEFNIHQMFQCDGD-JQIJEIRASA-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 LpqtOfqkbk
Name 2-Heptenoic acid, undecyl ester
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/c1-3-5-7-9-10-11-12-13-15-17-20-18(19)16-14-8-6-4-2/h14,16H,3-13,15,17H2,1-2H3/b16-14+
InChIKey VEFNIHQMFQCDGD-JQIJEIRASA-N
Molecular Weight 282.468 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCC)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935443