SpectraBase Spectrum ID |
ItPdiyx9Avs |
Name |
2,6,10,14-Tetramethylpentadec-2(E)-enoic acid methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
310.287180462 u |
Formula |
C20H38O2 |
InChI |
InChI=1S/C20H38O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(21)22-6/h15-18H,7-14H2,1-6H3/b19-15+ |
InChIKey |
DLRHHNFSZALWHO-XDJHFCHBSA-N |
Molecular Weight |
310.522 g/mol |
SMILES |
CC(C)CCCC(CCCC(CC\C=C\(C(OC)=O)C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948212 |