| SpectraBase Spectrum ID |
BT3kyEgThhw |
| Name |
3-Amino-5-(2-chlorophenyl)-2,4-dicyano-1-methylcyclohexa-1,3-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.071975098 u |
| Formula |
C15H12ClN3 |
| InChI |
InChI=1S/C15H12ClN3/c1-9-6-11(10-4-2-3-5-14(10)16)13(8-18)15(19)12(9)7-17/h2-5,11H,6,19H2,1H3 |
| InChIKey |
YLXGSUMGOZHVNR-UHFFFAOYSA-N |
| Molecular Weight |
269.735 g/mol |
| SMILES |
C1(=C(C(=C(C(C1)C=1C(=CC=CC1)Cl)C#N)N)C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869452 |
