| SpectraBase Spectrum ID |
1E42S4lnE6d |
| Name |
2-Cyclobuten-1-one, 3-(methylphenylamino)-2-(methylthio)-4,4-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.134385473 u |
| Formula |
C24H21NOS |
| InChI |
InChI=1S/C24H21NOS/c1-25(20-16-10-5-11-17-20)22-21(27-2)23(26)24(22,18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17H,1-2H3 |
| InChIKey |
ZSJMYLCVFNOYRO-UHFFFAOYSA-N |
| Molecular Weight |
371.498 g/mol |
| SMILES |
C1(C(N(C2=CC=CC=C2)C)=C(C1=O)SC)(C=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94882 |
