For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Tridecyl 2-methyltriacont-19-eneoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Tridecyl 2-methyltriacont-19-eneoate
SpectraBase Compound ID 90vzgiR3DD0
InChI InChI=1S/C44H86O2/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43(3)44(45)46-42-40-38-36-34-32-15-13-11-9-7-5-2/h19-20,43H,4-18,21-42H2,1-3H3/b20-19+
InChIKey QKXMREYYQOFMLE-FMQUCBEESA-N
Mol Weight 647.2 g/mol
Molecular Formula C44H86O2
Exact Mass 646.662782 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EyRvm9YbTnL
Name Tridecyl 2-methyltriacont-19-eneoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 646.662782007 u
Formula C44H86O2
InChI InChI=1S/C44H86O2/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43(3)44(45)46-42-40-38-36-34-32-15-13-11-9-7-5-2/h19-20,43H,4-18,21-42H2,1-3H3/b20-19+
InChIKey QKXMREYYQOFMLE-FMQUCBEESA-N
Molecular Weight 647.170 g/mol
SMILES C(C(CCCCCCCCCCCCCCCC\C=C\CCCCCCCCCC)C)(=O)OCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969577