| SpectraBase Spectrum ID |
EgwlfEjzmlO |
| Name |
2-(1-Naphthalenylmethyl)propanedioic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.136159120 u |
| Formula |
C18H20O4 |
| InChI |
InChI=1S/C18H20O4/c1-3-21-17(19)16(18(20)22-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11,16H,3-4,12H2,1-2H3 |
| InChIKey |
COZHUIZNMBNAKP-UHFFFAOYSA-N |
| Molecular Weight |
300.354 g/mol |
| SMILES |
C(CC1=C2C(C=CC=C2)=CC=C1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909201 |
