| SpectraBase Spectrum ID |
590Bv03i2fy |
| Name |
Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-2-chlorotetrahydropyran-4-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.071759883 u |
| Formula |
C14H19ClO9 |
| InChI |
InChI=1S/C14H19ClO9/c1-7(16)20-6-14(15)13(24-10(4)19)12(23-9(3)18)11(5-21-14)22-8(2)17/h11-13H,5-6H2,1-4H3 |
| InChIKey |
PMLCZAOMORANDI-UHFFFAOYSA-N |
| Molecular Weight |
366.750 g/mol |
| SMILES |
C1(COC(C(C1OC(C)=O)OC(C)=O)(Cl)COC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966242 |
