SpectraBase Spectrum ID |
jCdy8q0weq |
Name |
N-[1-(2-Oxopyrrolidin-1-yl)ethyl]aniline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.126263142 u |
Formula |
C12H16N2O |
InChI |
InChI=1S/C12H16N2O/c1-10(14-9-5-8-12(14)15)13-11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,8-9H2,1H3 |
InChIKey |
QFTMQAMPRIUGSO-UHFFFAOYSA-N |
Molecular Weight |
204.273 g/mol |
SMILES |
C=1(NC(C)N2C(CCC2)=O)C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965568 |