| SpectraBase Spectrum ID |
5EJi8saKOmr |
| Name |
(S)-(+)-2-{1-[(E)-2-bromonon-2-enyl]-5-oxopyrrolidin-2-yl}propenal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.099042015 u |
| Formula |
C16H24BrNO2 |
| InChI |
InChI=1S/C16H24BrNO2/c1-3-4-5-6-7-8-14(17)11-18-15(13(2)12-19)9-10-16(18)20/h8,12,15H,2-7,9-11H2,1H3/b14-8+/t15-/m0/s1 |
| InChIKey |
AVZUERNTUZWLKO-NHXNDTTKSA-N |
| Molecular Weight |
342.277 g/mol |
| SMILES |
[C@]1(N(C(CC1)=O)C\C(=C/CCCCCC)Br)(C(=C)C=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956715 |
![(S)-(+)-2-{1-[(E)-2-bromonon-2-enyl]-5-oxopyrrolidin-2-yl}propenal](/api/spectrum/5EJi8saKOmr/structure.png?h=300&w=458 "(S)-(+)-2-{1-[(E)-2-bromonon-2-enyl]-5-oxopyrrolidin-2-yl}propenal")
