| SpectraBase Spectrum ID |
Ig0wmXrHr8V |
| Name |
[N-Allyl-3-(but-3-enyl)-aziridin-2-yl]-(phenyl)-methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.146664235 u |
| Formula |
C16H19NO |
| InChI |
InChI=1S/C16H19NO/c1-3-5-11-14-15(17(14)12-4-2)16(18)13-9-7-6-8-10-13/h3-4,6-10,14-15H,1-2,5,11-12H2 |
| InChIKey |
GSRXDMGQCAXYJB-UHFFFAOYSA-N |
| Molecular Weight |
241.334 g/mol |
| SMILES |
C(=O)(C=1C=CC=CC1)C1C(N1CC=C)CCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963605 |
![[N-Allyl-3-(but-3-enyl)-aziridin-2-yl]-(phenyl)-methanone](/api/spectrum/Ig0wmXrHr8V/structure.png?h=300&w=458 "[N-Allyl-3-(but-3-enyl)-aziridin-2-yl]-(phenyl)-methanone")
