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Methyl 10,12-pentacosadiynoate

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

Methyl 10,12-pentacosadiynoate
SpectraBase Compound ID 1p33fknJY3I
InChI InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-13,18-25H2,1-2H3
InChIKey GGSURCIXQQGITI-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C26H44O2
Exact Mass 388.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3HM1QWM3agZ
Name Methyl 10,12-pentacosadiynoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.334130655 u
Formula C26H44O2
InChI InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-13,18-25H2,1-2H3
InChIKey GGSURCIXQQGITI-UHFFFAOYSA-N
Molecular Weight 388.636 g/mol
SMILES CCCCCCCCCCCCC#CC#CCCCCCCCCC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892125