| SpectraBase Spectrum ID |
C4W4coxAvq2 |
| Name |
7-Chloro-2-[(p-chlorophenoxy)methyl]-3-[2-(diethylamino)ethyl]-4-(3H)-quinazolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.116732391 u |
| Formula |
C21H23Cl2N3O2 |
| InChI |
InChI=1S/C21H23Cl2N3O2/c1-3-25(4-2)11-12-26-20(14-28-17-8-5-15(22)6-9-17)24-19-13-16(23)7-10-18(19)21(26)27/h5-10,13H,3-4,11-12,14H2,1-2H3 |
| InChIKey |
AVCGRMXYEXLIFF-UHFFFAOYSA-N |
| Molecular Weight |
420.340 g/mol |
| SMILES |
C=12C=CC(=CC1N=C(N(C2=O)CCN(CC)CC)COC=1C=CC(=CC1)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.741242 |
![7-chloro-2-[(p-chlorophenoxy)methyl]-3-[2-(diethylamino)ethyl]-4-(3H)-quinazolinone](/api/spectrum/C4W4coxAvq2/structure.png?h=300&w=458 "7-chloro-2-[(p-chlorophenoxy)methyl]-3-[2-(diethylamino)ethyl]-4-(3H)-quinazolinone")
