| SpectraBase Spectrum ID |
3cCSQiKYp47 |
| Name |
Ethyl 2,2-diphenyl-3-(trichloromethyl)aziridine-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.024661857 u |
| Formula |
C18H16Cl3NO2 |
| InChI |
InChI=1S/C18H16Cl3NO2/c1-2-24-16(23)22-15(18(19,20)21)17(22,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3 |
| InChIKey |
OZLGTFOJSQZKIG-UHFFFAOYSA-N |
| Molecular Weight |
384.690 g/mol |
| SMILES |
C1(N(C1(C1=CC=CC=C1)C=1C=CC=CC1)C(=O)OCC)C(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913337 |
