| SpectraBase Spectrum ID |
AiSHv7cdcQe |
| Name |
(E) N'-(4-(4-Chlorophenyl)-3-cyano-7-(diethylamino)-4hchromen-2-yl)formimidamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.140389011 u |
| Formula |
C21H21ClN4O |
| InChI |
InChI=1S/C21H21ClN4O/c1-3-26(4-2)16-9-10-17-19(11-16)27-21(25-13-24)18(12-23)20(17)14-5-7-15(22)8-6-14/h5-11,13,20H,3-4H2,1-2H3,(H2,24,25) |
| InChIKey |
LPKDFLSOYXOXNA-UHFFFAOYSA-N |
| Molecular Weight |
380.879 g/mol |
| SMILES |
C1(=C(OC2=C(C1C=1C=CC(=CC1)Cl)C=CC(N(CC)CC)=C2)\N=C\N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923763 |
