| SpectraBase Spectrum ID |
8jkjitP12SN |
| Name |
Benzeneacetamide, N-[1-[2-(bromomethyl)phenyl]-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 |
474.094290987 u |
| Formula |
C26H23BrN2O2 |
| InChI |
InChI=1S/C26H23BrN2O2/c27-18-21-13-7-8-14-22(21)29-23(16-15-19-9-3-1-4-10-19)25(26(29)31)28-24(30)17-20-11-5-2-6-12-20/h1-16,23,25H,17-18H2,(H,28,30)/b16-15+/t23-,25+/m0/s1 |
| InChIKey |
CGFSDLIRUDUFDH-DTHNYOTBSA-N |
| Molecular Weight |
475.386 g/mol |
| SMILES |
C1(N([C@]([C@]1(NC(=O)CC=1C=CC=CC1)[H])(\C=C\C1=CC=CC=C1)[H])C=1C(CBr)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833551 |
![Benzeneacetamide, N-[1-[2-(bromomethyl)phenyl]-2-oxo-4-(2-phenylethenyl)-3-azetidinyl]-, [3.alpha.,4.alpha.(E)]-](/api/spectrum/8jkjitP12SN/structure.png?h=300&w=458 "Benzeneacetamide, N-[1-[2-(bromomethyl)phenyl]-2-oxo-4-(2-phenylethenyl)-3-azetidinyl]-, [3.alpha.,4.alpha.(E)]-")
