SpectraBase Spectrum ID |
KbSjl6e7537 |
Name |
1-(2-Ethyl-3-isopropyl-4,4-dimethyl-pyrazolidin-1-yl)ethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
212.188863400 u |
Formula |
C12H24N2O |
InChI |
InChI=1S/C12H24N2O/c1-7-13-11(9(2)3)12(5,6)8-14(13)10(4)15/h9,11H,7-8H2,1-6H3 |
InChIKey |
GYXMNCJFJAMIBC-UHFFFAOYSA-N |
Molecular Weight |
212.337 g/mol |
SMILES |
C1(N(N(CC1(C)C)C(=O)C)CC)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882932 |