| SpectraBase Spectrum ID |
30Diu7SelU1 |
| Name |
Sebacic acid, 2-methylbenzyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.261359635 u |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-3-4-13-18-26-22(24)16-9-7-5-6-8-10-17-23(25)27-19-21-15-12-11-14-20(21)2/h11-12,14-15H,3-10,13,16-19H2,1-2H3 |
| InChIKey |
LWEJFOGEUDVMRD-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C(CCCCCCC(OCCCCC)=O)CC(OCC=1C(C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878064 |
