| SpectraBase Compound ID | AdkYHRgFz4p |
|---|---|
| InChI | InChI=1S/C23H23NO5/c1-4-29-22(26)20-19(25)13-23(14-24,16-7-11-18(28-3)12-8-16)21(20)15-5-9-17(27-2)10-6-15/h5-12,20-21H,4,13H2,1-3H3/t20?,21-,23-/m1/s1 InChI=1S/C23H23NO5/c1-4-29-22(26)20-19(25)13-23(14-24,16-7-11-18(28-3)12-8-16)21(20)15-5-9-17(27-2)10-6-15/h5-12,20-21H,4,13H2,1-3H3/t20?,21-,23-/m0/s1 |
| InChIKey | FVJUWQAWDPSPAC-CQQDSARBSA-N |
| Mol Weight | 393.44 g/mol |
| Molecular Formula | C23H23NO5 |
| Exact Mass | 393.157623 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6Fkw7xOUmaD |
|---|---|
| Name | 2,3-Trans-bis(p-methoxyphenyl)-3-cyano-5-oxocyclopentanecarboxylic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.157622840 u |
| Formula | C23H23NO5 |
| InChI | InChI=1S/C23H23NO5/c1-4-29-22(26)20-19(25)13-23(14-24,16-7-11-18(28-3)12-8-16)21(20)15-5-9-17(27-2)10-6-15/h5-12,20-21H,4,13H2,1-3H3/t20?,21-,23-/m1/s1 |
| InChIKey | FVJUWQAWDPSPAC-CQQDSARBSA-N |
| Molecular Weight | 393.439 g/mol |
| SMILES | C1(C([C@]([C@@](C1)(C=1C=CC(=CC1)OC)C#N)(C=1C=CC(=CC1)OC)[H])C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.709699 |