| SpectraBase Spectrum ID |
6GK7GCXDcLB |
| Name |
cis-1-(T-Butoxycarbonylmethyl)-4-(2-bromophenyl)-3-phthalimidoazetidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.063384779 u |
| Formula |
C23H21BrN2O5 |
| InChI |
InChI=1S/C23H21BrN2O5/c1-23(2,3)31-17(27)12-25-18(15-10-6-7-11-16(15)24)19(22(25)30)26-20(28)13-8-4-5-9-14(13)21(26)29/h4-11,18-19H,12H2,1-3H3 |
| InChIKey |
SYTRTUZDNNDMLS-UHFFFAOYSA-N |
| Molecular Weight |
485.334 g/mol |
| SMILES |
C1(N(C(C1N1C(C2=C(C1=O)C=CC=C2)=O)=O)CC(=O)OC(C)(C)C)C1=C(C=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949693 |
