SpectraBase Spectrum ID |
E7vCksnW3va |
Name |
Succinic acid, phenethyl N,N-diethyl-2-aminoethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
321.194008349 u |
Formula |
C18H27NO4 |
InChI |
InChI=1S/C18H27NO4/c1-3-19(4-2)13-15-23-18(21)11-10-17(20)22-14-12-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3 |
InChIKey |
YIBFVKFMZGCTJO-UHFFFAOYSA-N |
Molecular Weight |
321.417 g/mol |
SMILES |
C(CC1=CC=CC=C1)OC(CCC(=O)OCCN(CC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921292 |