| SpectraBase Spectrum ID |
9DzhMtpMhY4 |
| Name |
2-Amino-3-cyano-4-(p-chlorophenyl)-5-(p-tolylsulfinyl)-6-ethyl-4H-pyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.085576732 u |
| Formula |
C21H19ClN2O2S |
| InChI |
InChI=1S/C21H19ClN2O2S/c1-3-18-20(27(25)16-10-4-13(2)5-11-16)19(17(12-23)21(24)26-18)14-6-8-15(22)9-7-14/h4-11,19H,3,24H2,1-2H3 |
| InChIKey |
OBYAVIDDOVFWMY-UHFFFAOYSA-N |
| Molecular Weight |
398.908 g/mol |
| SMILES |
C=1(C(C(C#N)=C(OC1CC)N)C1=CC=C(C=C1)Cl)S(C=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871298 |
