| SpectraBase Spectrum ID |
1jER8VGQsom |
| Name |
Dimethyl (6R*,7S*)-1-benzyl-3-methoxy-5,6,7,8-tetrahydro-2-oxo-1H-qiuinoline-6,7-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.152537459 u |
| Formula |
C21H23NO6 |
| InChI |
InChI=1S/C21H23NO6/c1-26-18-10-14-9-15(20(24)27-2)16(21(25)28-3)11-17(14)22(19(18)23)12-13-7-5-4-6-8-13/h4-8,10,15-16H,9,11-12H2,1-3H3/t15-,16+/m1/s1 |
| InChIKey |
YOTIPLFIHJLFGN-CVEARBPZSA-N |
| Molecular Weight |
385.416 g/mol |
| SMILES |
C1=2N(C(C(=CC2C[C@]([C@](C1)(C(=O)OC)[H])(C(=O)OC)[H])OC)=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94846 |
