| SpectraBase Spectrum ID |
8PTqpphbtdH |
| Name |
Adipic acid, nonyl 2-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.323959893 u |
| Formula |
C23H44O4 |
| InChI |
InChI=1S/C23H44O4/c1-4-6-8-10-11-12-16-20-26-22(24)18-14-15-19-23(25)27-21(3)17-13-9-7-5-2/h21H,4-20H2,1-3H3 |
| InChIKey |
MFQJBCHHWOXFEL-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(C(OC(=O)CCCCC(OCCCCCCCCC)=O)C)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800836 |
