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(Z)-Icos-11-en-1-yl oleate
SpectraBase Compound ID J6wd4lmFpE8
InChI InChI=1S/C38H72O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h17-19,22H,3-16,20-21,23-37H2,1-2H3/b19-17-,22-18-
InChIKey XWRULJGKJQBUNM-KKGNMLJQSA-N
Mol Weight 561.0 g/mol
Molecular Formula C38H72O2
Exact Mass 560.553232 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LhssrslQK1t
Name (Z)-Icos-11-en-1-yl oleate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 560.553231556 u
Formula C38H72O2
InChI InChI=1S/C38H72O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h17-19,22H,3-16,20-21,23-37H2,1-2H3/b19-17-,22-18-
InChIKey XWRULJGKJQBUNM-KKGNMLJQSA-N
Molecular Weight 560.992 g/mol
SMILES C(CCCCCCC\C=C/CCCCCCCC)(=O)OCCCCCCCCCC\C=C/CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972825