| SpectraBase Spectrum ID |
Ftz7jRvpx9B |
| Name |
Benzeneacetamide, N-[1-(2-bromophenyl)-2-oxo-4-(2-phenylethenyl)-3-azetidinyl]-, [3.alpha.,4.alpha.(E)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.078640922 u |
| Formula |
C25H21BrN2O2 |
| InChI |
InChI=1S/C25H21BrN2O2/c26-20-13-7-8-14-21(20)28-22(16-15-18-9-3-1-4-10-18)24(25(28)30)27-23(29)17-19-11-5-2-6-12-19/h1-16,22,24H,17H2,(H,27,29)/b16-15+/t22-,24+/m0/s1 |
| InChIKey |
CNEWIQYEVXCGTB-QKCRJPCFSA-N |
| Molecular Weight |
461.359 g/mol |
| SMILES |
C1(N([C@]([C@]1(NC(=O)CC1=CC=CC=C1)[H])(\C=C\C=1C=CC=CC1)[H])C=1C(Br)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936342 |
![Benzeneacetamide, N-[1-(2-bromophenyl)-2-oxo-4-(2-phenylethenyl)-3-azetidinyl]-, [3.alpha.,4.alpha.(E)]-](/api/spectrum/Ftz7jRvpx9B/structure.png?h=300&w=458 "Benzeneacetamide, N-[1-(2-bromophenyl)-2-oxo-4-(2-phenylethenyl)-3-azetidinyl]-, [3.alpha.,4.alpha.(E)]-")
