| SpectraBase Spectrum ID |
CtAvfHr9Q8m |
| Name |
Acetic acid, 2-[5-(benzyloxymethyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1-methylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.193673997 u |
| Formula |
C18H28O5 |
| InChI |
InChI=1S/C10H18O4.C8H10O/c1-7(13-8(2)11)5-9-6-12-10(3,4)14-9;1-9-7-8-5-3-2-4-6-8/h7,9H,5-6H2,1-4H3;2-6H,7H2,1H3 |
| InChIKey |
IOADRDBLGKXJAM-UHFFFAOYSA-N |
| Molecular Weight |
324.417 g/mol |
| Nominal Mass |
324 u |
| SMILES |
C1C(OC(O1)(C)C)CC(C)OC(=O)C.c1(COC)ccccc1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951511 |
![Acetic acid, 2-[5-(benzyloxy-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1-methyl-ethyl ester](/api/spectrum/CtAvfHr9Q8m/structure.png?h=300&w=458 "Acetic acid, 2-[5-(benzyloxy-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1-methyl-ethyl ester")
