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(Z)-(Z)-Docos-13-en-1-yl icos-11-enoate

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

(Z)-(Z)-Docos-13-en-1-yl icos-11-enoate
SpectraBase Compound ID CQlkKiSJs7T
InChI InChI=1S/C42H80O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-41H2,1-2H3/b19-17-,20-18-
InChIKey DKBUFWAUOWRWQE-CLFAGFIQSA-N
Mol Weight 617.1 g/mol
Molecular Formula C42H80O2
Exact Mass 616.615832 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7JS12QKlSsE
Name (Z)-(Z)-Docos-13-en-1-yl icos-11-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 616.615831814 u
Formula C42H80O2
InChI InChI=1S/C42H80O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-44-42(43)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-41H2,1-2H3/b19-17-,20-18-
InChIKey DKBUFWAUOWRWQE-CLFAGFIQSA-N
Molecular Weight 617.100 g/mol
SMILES C(CCCCCCCCC\C=C/CCCCCCCC)(=O)OCCCCCCCCCCCC\C=C/CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956637