| SpectraBase Spectrum ID |
FJDBmjlorp6 |
| Name |
Glutaric acid, ethyl 2-naphthyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.120509056 u |
| Formula |
C17H18O4 |
| InChI |
InChI=1S/C17H18O4/c1-2-20-16(18)8-5-9-17(19)21-15-11-10-13-6-3-4-7-14(13)12-15/h3-4,6-7,10-12H,2,5,8-9H2,1H3 |
| InChIKey |
PYIGHIPEXXPIQQ-UHFFFAOYSA-N |
| SMILES |
C1=CC2=CC(OC(=O)CCCC(OCC)=O)=CC=C2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84536 |
