| SpectraBase Spectrum ID |
2lSg66f8n0X |
| Name |
11,11-Dimethylazepino[1,2-A]indole-6,8-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.131408092 u |
| Formula |
C19H19NO4 |
| InChI |
InChI=1S/C19H19NO4/c1-19(2)13-7-5-6-8-14(13)20-15(18(22)24-4)11-12(17(21)23-3)9-10-16(19)20/h5-11H,1-4H3 |
| InChIKey |
NRPBZFIKZFDBPP-UHFFFAOYSA-N |
| Molecular Weight |
325.364 g/mol |
| SMILES |
C=12N(C3=C(C2(C)C)C=CC=C3)C(=CC(=CC1)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924903 |
![11,11-Dimethylazepino[1,2-A]indole-6,8-dicarboxylic acid dimethyl ester](/api/spectrum/2lSg66f8n0X/structure.png?h=300&w=458 "11,11-Dimethylazepino[1,2-A]indole-6,8-dicarboxylic acid dimethyl ester")
