| SpectraBase Spectrum ID |
6TIhZ7zbU20 |
| Name |
Dimethyl 5,8-dihydro-3-(1'-phenylethyl)-(1,4)-dioxocine-2,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.141638422 u |
| Formula |
C18H22O6 |
| InChI |
InChI=1S/C18H22O6/c1-13(14-9-5-4-6-10-14)15-18(16(19)21-2,17(20)22-3)24-12-8-7-11-23-15/h4-10,13,15H,11-12H2,1-3H3/b8-7- |
| InChIKey |
JZZLTTVPMANIQR-FPLPWBNLSA-N |
| Molecular Weight |
334.368 g/mol |
| SMILES |
C1(C(C(C2=CC=CC=C2)C)OC\C=C/CO1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954819 |
