| SpectraBase Spectrum ID |
LsTN1erbcfx |
| Name |
Sebacic acid, butyl 2-(2-methoxyethyl)heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.334524576 u |
| Formula |
C24H46O5 |
| InChI |
InChI=1S/C24H46O5/c1-4-6-12-15-22(18-20-27-3)21-29-24(26)17-14-11-9-8-10-13-16-23(25)28-19-7-5-2/h22H,4-21H2,1-3H3 |
| InChIKey |
KBVYTTILAOWHEC-UHFFFAOYSA-N |
| Molecular Weight |
414.627 g/mol |
| SMILES |
C(CCCCCC(OCC(CCOC)CCCCC)=O)CCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981678 |
