| SpectraBase Spectrum ID |
HQYEcAkIOlF |
| Name |
1-Naphthaleneacetic acid, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.271530397 u |
| Formula |
C25H36O2 |
| InChI |
InChI=1S/C25H36O2/c1-2-3-4-5-6-7-8-9-10-11-14-20-27-25(26)21-23-18-15-17-22-16-12-13-19-24(22)23/h12-13,15-19H,2-11,14,20-21H2,1H3 |
| InChIKey |
CEXDNJXKGYFGNU-UHFFFAOYSA-N |
| Molecular Weight |
368.561 g/mol |
| SMILES |
C1=CC2=C(C=C1)C(=CC=C2)CC(=O)OCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853693 |
