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Succinic acid, tridec-2-yn-1-yl 2-decyl ester

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

Succinic acid, tridec-2-yn-1-yl 2-decyl ester
SpectraBase Compound ID 7wWAkYxeeSC
InChI InChI=1S/C27H48O4/c1-4-6-8-10-12-13-14-15-16-18-20-24-30-26(28)22-23-27(29)31-25(3)21-19-17-11-9-7-5-2/h25H,4-17,19,21-24H2,1-3H3
InChIKey HVPSJORHFSCESD-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I6Z6VWiJNwV
Name Succinic acid, tridec-2-yn-1-yl 2-decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-4-6-8-10-12-13-14-15-16-18-20-24-30-26(28)22-23-27(29)31-25(3)21-19-17-11-9-7-5-2/h25H,4-17,19,21-24H2,1-3H3
InChIKey HVPSJORHFSCESD-UHFFFAOYSA-N
Molecular Weight 436.677 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC(CCCCCCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959062