| SpectraBase Spectrum ID |
2VvjA5FRhG3 |
| Name |
2-(2-(N-Ethylacetamido)ethoxy)ethyl 2-acetoxy-1-phenylcyclopentane-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.215137716 u |
| Formula |
C22H31NO6 |
| InChI |
InChI=1S/C22H31NO6/c1-4-23(17(2)24)13-14-27-15-16-28-21(26)22(19-9-6-5-7-10-19)12-8-11-20(22)29-18(3)25/h5-7,9-10,20H,4,8,11-16H2,1-3H3 |
| InChIKey |
KXINLELETOGZNF-UHFFFAOYSA-N |
| Molecular Weight |
405.491 g/mol |
| SMILES |
C1=CC=CC(=C1)C1(C(OCCOCCN(CC)C(C)=O)=O)C(CCC1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928734 |
