| SpectraBase Spectrum ID |
CmphdFtXTCH |
| Name |
3-[.alpha.-(N-Methyl-N'-phenylamidinothio)benzyl]-1H-2-quinoxalinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.135782453 u |
| Formula |
C23H20N4OS |
| InChI |
InChI=1S/C23H20N4OS/c1-24-23(25-17-12-6-3-7-13-17)29-21(16-10-4-2-5-11-16)20-22(28)27-19-15-9-8-14-18(19)26-20/h2-15,21H,1H3,(H,24,25)(H,27,28) |
| InChIKey |
GTEPUXSBSPRABK-UHFFFAOYSA-N |
| Molecular Weight |
400.500 g/mol |
| SMILES |
C12=CC=CC=C2N=C(C(N1)=O)C(S\C(NC)=N\C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926228 |
![3-[.alpha.-(N-Methyl-N'-phenylamidinothio)benzyl]-1H-2-quinoxalinone](/api/spectrum/CmphdFtXTCH/structure.png?h=300&w=458 "3-[.alpha.-(N-Methyl-N'-phenylamidinothio)benzyl]-1H-2-quinoxalinone")
