| SpectraBase Spectrum ID |
1qdMQ3JH9Hh |
| Name |
Ethyl N-(1,1-dioxo-2,2,4,4-tetraphenyl-thietan-3-ylidene)carbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.150429459 u |
| Formula |
C30H25NO4S |
| InChI |
InChI=1S/C30H25NO4S/c1-2-35-28(32)31-27-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)36(33,34)30(27,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,2H2,1H3 |
| InChIKey |
ZKBRFYBIQQUJJE-UHFFFAOYSA-N |
| Molecular Weight |
495.593 g/mol |
| SMILES |
C1(S(C(C1=NC(=O)OCC)(C1=CC=CC=C1)C1=CC=CC=C1)(=O)=O)(C=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84087 |
