| SpectraBase Spectrum ID |
8d6RrG5D9kh |
| Name |
Imidazo[2,1-B]quinazoline-1(5H)-acetic acid, 6-chloro-3-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-3-methyl-2-oxo-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.119713134 u |
| Formula |
C19H22ClN3O6 |
| InChI |
InChI=1S/C19H22ClN3O6/c1-4-27-15(24)10-22-17(26)19(3,29-11-16(25)28-5-2)23-9-12-13(20)7-6-8-14(12)21-18(22)23/h6-8H,4-5,9-11H2,1-3H3 |
| InChIKey |
UHLXTJLKJUXEQQ-UHFFFAOYSA-N |
| Molecular Weight |
423.853 g/mol |
| SMILES |
C=12N(C(OCC(=O)OCC)(C)C(N2CC(=O)OCC)=O)CC2=C(N1)C=CC=C2Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84305 |
![Imidazo[2,1-b]quinazoline-1(5H)-acetic acid, 6-chloro-3-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-3-methyl-2-oxo-, ethyl ester](/api/spectrum/8d6RrG5D9kh/structure.png?h=300&w=458 "Imidazo[2,1-b]quinazoline-1(5H)-acetic acid, 6-chloro-3-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-3-methyl-2-oxo-, ethyl ester")
