| SpectraBase Spectrum ID |
G0MoKdZSd7k |
| Name |
Sebacic acid, 2-decyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.339609957 u |
| Formula |
C24H46O4 |
| InChI |
InChI=1S/C24H46O4/c1-5-6-7-8-11-14-17-22(4)28-24(26)19-16-13-10-9-12-15-18-23(25)27-20-21(2)3/h21-22H,5-20H2,1-4H3 |
| InChIKey |
JZMHQCYGNVTTBV-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
C(CCCCCCCCC(OCC(C)C)=O)(OC(C)CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93317 |
