| SpectraBase Spectrum ID |
7hdxq1jDpCW |
| Name |
Methyl-9-oxo-1,2,3,3A,4,9-hexahydropyrrolo-[2,1-B]-quinazoline-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.100442316 u |
| Formula |
C13H14N2O3 |
| InChI |
InChI=1S/C13H14N2O3/c1-18-13(17)10-6-7-11-14-9-5-3-2-4-8(9)12(16)15(10)11/h2-5,10-11,14H,6-7H2,1H3/t10-,11+/m0/s1 |
| InChIKey |
YKQBJBRDASFHRZ-WDEREUQCSA-N |
| Molecular Weight |
246.266 g/mol |
| SMILES |
[C@]1(N2[C@](CC1)(NC=1C(C2=O)=CC=CC1)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853632 |
![Methyl-9-oxo-1,2,3,3A,4,9-hexahydropyrrolo-[2,1-B]-quinazoline-1-carboxylate](/api/spectrum/7hdxq1jDpCW/structure.png?h=300&w=458 "Methyl-9-oxo-1,2,3,3A,4,9-hexahydropyrrolo-[2,1-B]-quinazoline-1-carboxylate")
