| SpectraBase Spectrum ID |
As1n0T9Henb |
| Name |
Glutaric acid, dodec-2-en-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 |
438.370910086 u |
| Formula |
C27H50O4 |
| InChI |
InChI=1S/C27H50O4/c1-4-6-8-10-12-13-14-15-17-19-24-30-26(28)22-20-23-27(29)31-25(3)21-18-16-11-9-7-5-2/h17,19,25H,4-16,18,20-24H2,1-3H3/b19-17+ |
| InChIKey |
IUAAFXMDHJBCGH-HTXNQAPBSA-N |
| Molecular Weight |
438.693 g/mol |
| SMILES |
C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC(CCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947067 |
