| SpectraBase Spectrum ID |
LUtqBBjJQEg |
| Name |
2-(1-Methyl-3-oxo-1-isobenzofuranyl)propanedioic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.110338294 u |
| Formula |
C16H18O6 |
| InChI |
InChI=1S/C16H18O6/c1-4-20-14(18)12(15(19)21-5-2)16(3)11-9-7-6-8-10(11)13(17)22-16/h6-9,12H,4-5H2,1-3H3 |
| InChIKey |
YUIKMXCTJHJGOO-UHFFFAOYSA-N |
| SMILES |
C1(OC(=O)C2=C1C=CC=C2)(C(C(=O)OCC)C(=O)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982523 |
