| SpectraBase Compound ID | 5RI7FFKE0g1 |
|---|---|
| InChI | InChI=1S/C22H23NO6/c1-12-14-4-5-17-22(29-11-26-17)16(14)9-23(2)21(12)15-8-19-18(27-10-28-19)6-13(15)7-20(24)25-3/h4-6,8,12,21H,7,9-11H2,1-3H3/t12-,21-/m1/s1 InChI=1S/C22H23NO6/c1-12-14-4-5-17-22(29-11-26-17)16(14)9-23(2)21(12)15-8-19-18(27-10-28-19)6-13(15)7-20(24)25-3/h4-6,8,12,21H,7,9-11H2,1-3H3/t12-,21-/m0/s1 |
| InChIKey | QTJGELCKRFLMOF-XUSGNXJCSA-N |
| Mol Weight | 397.43 g/mol |
| Molecular Formula | C22H23NO6 |
| Exact Mass | 397.152537 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BWEFFMFFa2j |
|---|---|
| Name | (+/-)-corydalic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.152537459 u |
| Formula | C22H23NO6 |
| InChI | InChI=1S/C22H23NO6/c1-12-14-4-5-17-22(29-11-26-17)16(14)9-23(2)21(12)15-8-19-18(27-10-28-19)6-13(15)7-20(24)25-3/h4-6,8,12,21H,7,9-11H2,1-3H3/t12-,21-/m1/s1 |
| InChIKey | QTJGELCKRFLMOF-XUSGNXJCSA-N |
| Molecular Weight | 397.427 g/mol |
| SMILES | C=12C=CC=3OCOC3C1CN([C@]([C@@]2(C)[H])(C=1C=C2OCOC2=CC1CC(=O)OC)[H])C |
| Spectrum/Structure Validation Score (Raman) | 0.946685 |