SpectraBase Spectrum ID |
9pP9PAk4uMv |
Name |
Methyl 3-(3,4-diacetoxy-5-phenyloxolan-2-yl)-3-acetoxypropanoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
408.142032344 u |
Formula |
C20H24O9 |
InChI |
InChI=1S/C20H24O9/c1-11(21)26-15(10-16(24)25-4)18-20(28-13(3)23)19(27-12(2)22)17(29-18)14-8-6-5-7-9-14/h5-9,15,17-20H,10H2,1-4H3 |
InChIKey |
FGYVINJERYBLEN-UHFFFAOYSA-N |
Molecular Weight |
408.403 g/mol |
SMILES |
COC(=O)CC(C1C(OC(C)=O)C(OC(C)=O)C(C2=CC=CC=C2)O1)OC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960412 |