| SpectraBase Spectrum ID |
1bY8HmnfIM |
| Name |
2-Cyclopentene-1,1-dicarboxylic acid, 3-methyl-4-(phenylmethylene)-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.151809184 u |
| Formula |
C19H22O4 |
| InChI |
InChI=1S/C19H22O4/c1-4-22-17(20)19(18(21)23-5-2)12-14(3)16(13-19)11-15-9-7-6-8-10-15/h6-12H,4-5,13H2,1-3H3/b16-11- |
| InChIKey |
HFQKQMUUWSPEHV-WJDWOHSUSA-N |
| Molecular Weight |
314.381 g/mol |
| SMILES |
C1(C=C(C)\C(C1)=C/C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968144 |
