| SpectraBase Spectrum ID |
S0KhRDlR0U |
| Name |
9-Keto-1,2-dihydropyrrolo[2,1-B]quinazoline-3,3-dicarboxylic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.121571683 u |
| Formula |
C17H18N2O5 |
| InChI |
InChI=1S/C17H18N2O5/c1-3-23-15(21)17(16(22)24-4-2)9-10-19-13(20)11-7-5-6-8-12(11)18-14(17)19/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey |
RLPOMFFFYYFKMI-UHFFFAOYSA-N |
| Molecular Weight |
330.340 g/mol |
| SMILES |
C1=2N(C(=O)C3=C(N2)C=CC=C3)CCC1(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849344 |
![9-Keto-1,2-dihydropyrrolo[2,1-B]quinazoline-3,3-dicarboxylic acid diethyl ester](/api/spectrum/S0KhRDlR0U/structure.png?h=300&w=458 "9-Keto-1,2-dihydropyrrolo[2,1-B]quinazoline-3,3-dicarboxylic acid diethyl ester")
