| SpectraBase Spectrum ID |
HFuUhzuT9F0 |
| Name |
Ethyl 3-{2'-[4''-[(benzyloxymethyl)hexyl]-[1',3']dioxolan-2'-yl]propanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.240624190 u |
| Formula |
C22H34O5 |
| InChI |
InChI=1S/C22H34O5/c1-3-19(17-24-18-20-9-6-5-7-10-20)11-8-13-22(26-15-16-27-22)14-12-21(23)25-4-2/h5-7,9-10,19H,3-4,8,11-18H2,1-2H3/t19-/m1/s1 |
| InChIKey |
CVDLJXUURAUDSS-LJQANCHMSA-N |
| Molecular Weight |
378.509 g/mol |
| SMILES |
C1(OCCO1)(CCC(=O)OCC)CCC[C@](COCC1=CC=CC=C1)(CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915918 |
![Ethyl 3-{2'-[4''-[(benzyloxymethyl)hexyl]-[1',3']dioxolan-2'-yl]propanoate](/api/spectrum/HFuUhzuT9F0/structure.png?h=300&w=458 "Ethyl 3-{2'-[4''-[(benzyloxymethyl)hexyl]-[1',3']dioxolan-2'-yl]propanoate")
