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I-Propyl 5,9,17-hexacosatrienoate

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

I-Propyl 5,9,17-hexacosatrienoate
SpectraBase Compound ID 9vMwZNorK2W
InChI InChI=1S/C29H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(30)31-28(2)3/h11-12,19-20,23-24,28H,4-10,13-18,21-22,25-27H2,1-3H3/b12-11-,20-19-,24-23-
InChIKey FNPSZXNOVZUAQZ-WEKUVPSRSA-N
Mol Weight 432.7 g/mol
Molecular Formula C29H52O2
Exact Mass 432.396731 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 88IrwfwRctX
Name I-Propyl 5,9,17-hexacosatrienoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.396730912 u
Formula C29H52O2
InChI InChI=1S/C29H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(30)31-28(2)3/h11-12,19-20,23-24,28H,4-10,13-18,21-22,25-27H2,1-3H3/b12-11-,20-19-,24-23-
InChIKey FNPSZXNOVZUAQZ-WEKUVPSRSA-N
Molecular Weight 432.733 g/mol
SMILES C(CC\C=C/CC\C=C/CCCCCC\C=C/CCCCCCCC)C(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974486