| SpectraBase Spectrum ID |
IBxwq2CWvbZ |
| Name |
Methyl {1,4'-dioxo-1,2,3,4-tetrahydrospiro[benzo[C]azepine-5,1'-cyclohexane]-3'-carboxylate} |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.131408092 u |
| Formula |
C17H19NO4 |
| InChI |
InChI=1S/C17H19NO4/c1-22-16(21)12-10-17(7-6-14(12)19)8-9-18-15(20)11-4-2-3-5-13(11)17/h2-5,12H,6-10H2,1H3,(H,18,20) |
| InChIKey |
CHJOUZDXKBEYAE-UHFFFAOYSA-N |
| Molecular Weight |
301.342 g/mol |
| SMILES |
C1(NCCC2(C=3C1=CC=CC3)CC(C(CC2)=O)C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954762 |
![Methyl {1,4'-dioxo-1,2,3,4-tetrahydrospiro[benzo[c]azepine-5,1'-cyclohexane]-3'-carboxylate}](/api/spectrum/IBxwq2CWvbZ/structure.png?h=300&w=458 "Methyl {1,4'-dioxo-1,2,3,4-tetrahydrospiro[benzo[c]azepine-5,1'-cyclohexane]-3'-carboxylate}")
