| SpectraBase Spectrum ID |
BtYHnIwblUL |
| Name |
(2E)-1-Methyl-2-{[(p-methylphenyl)sulfonyl]methylene}-pyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.097999963 u |
| Formula |
C13H17NO2S |
| InChI |
InChI=1S/C13H17NO2S/c1-11-5-7-13(8-6-11)17(15,16)10-12-4-3-9-14(12)2/h5-8,10H,3-4,9H2,1-2H3/b12-10+ |
| InChIKey |
QAMIPFYJKBDIIK-ZRDIBKRKSA-N |
| Molecular Weight |
251.344 g/mol |
| SMILES |
C1N(\C(=C\S(C2=CC=C(C=C2)C)(=O)=O)CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879667 |
![(2E)-1-Methyl-2-{[(p-methylphenyl)sulfonyl]methylene}-pyrrolidine](/api/spectrum/BtYHnIwblUL/structure.png?h=300&w=458 "(2E)-1-Methyl-2-{[(p-methylphenyl)sulfonyl]methylene}-pyrrolidine")
