SpectraBase Spectrum ID |
C37NyCTlHgl |
Name |
Cyclobutanecarboxylic acid, 2-diethylaminoethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
199.157228918 u |
Formula |
C11H21NO2 |
InChI |
InChI=1S/C11H21NO2/c1-3-12(4-2)8-9-14-11(13)10-6-5-7-10/h10H,3-9H2,1-2H3 |
InChIKey |
MPJUZHPKFDGXRE-UHFFFAOYSA-N |
Molecular Weight |
199.294 g/mol |
SMILES |
C(=O)(C1CCC1)OCCN(CC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845072 |