| SpectraBase Spectrum ID |
9n0BZRnvsfG |
| Name |
1-Azatricyclo[3.3.1.13,7]decane-3-carboxylic acid, 5-methyl-4,6-dioxo-7-(2-phenylethyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.162708221 u |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-18-11-21-12-19(15(18)22,9-8-14-6-4-3-5-7-14)10-20(13-21,16(18)23)17(24)25-2/h3-7H,8-13H2,1-2H3 |
| InChIKey |
YNKHGZSHDJYFKN-UHFFFAOYSA-N |
| Molecular Weight |
341.407 g/mol |
| SMILES |
C12(C(C3(C)CN(C2)CC(C1)(C3=O)CCC=1C=CC=CC1)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848314 |
![1-Azatricyclo[3.3.1.13,7]decane-3-carboxylic acid, 5-methyl-4,6-dioxo-7-(2-phenylethyl)-, methyl ester](/api/spectrum/9n0BZRnvsfG/structure.png?h=300&w=458 "1-Azatricyclo[3.3.1.13,7]decane-3-carboxylic acid, 5-methyl-4,6-dioxo-7-(2-phenylethyl)-, methyl ester")
