| SpectraBase Spectrum ID |
61XWwijn5yi |
| Name |
2-Pyrrolidinone, 5,5-dimethyl-3-(phenylmethylene)-, (E)- |
| 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/c1-13(2)9-11(12(15)14-13)8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,14,15)/b11-8+ |
| InChIKey |
PFKQGFCLCPWMKT-DHZHZOJOSA-N |
| Molecular Weight |
201.269 g/mol |
| SMILES |
C1(\C(=C\C=2C=CC=CC2)CC(N1)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96551 |
