SpectraBase Spectrum ID |
32ko0Imd6ip |
Name |
N-[2-(3-Methylphenyl)-ethenyl]-2-pyrrolidinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
201.115364106 u |
Formula |
C13H15NO |
InChI |
InChI=1S/C13H15NO/c1-11-4-2-5-12(10-11)7-9-14-8-3-6-13(14)15/h2,4-5,7,9-10H,3,6,8H2,1H3/b9-7- |
InChIKey |
RREJLWIDLGCWRC-CLFYSBASSA-N |
Molecular Weight |
201.269 g/mol |
SMILES |
C=1C(=CC=CC1\C=C/N1CCCC1=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954712 |