| SpectraBase Spectrum ID |
H6Tc9CwoVXT |
| Name |
Sebacic acid, di(3-heptyl) 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/c1-5-9-17-21(7-3)27-23(25)19-15-13-11-12-14-16-20-24(26)28-22(8-4)18-10-6-2/h21-22H,5-20H2,1-4H3 |
| InChIKey |
ZDWJIYZNEKHQOD-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
C(CCCCCCCCC(OC(CC)CCCC)=O)(OC(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962443 |
