| SpectraBase Spectrum ID |
9WDIUmtqpK1 |
| Name |
Benzene, 1,2-diacetoxy-3,6-di(acetoxymethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.100167532 u |
| Formula |
C16H18O8 |
| InChI |
InChI=1S/C16H18O8/c1-9(17)21-7-13-5-6-14(8-22-10(2)18)16(24-12(4)20)15(13)23-11(3)19/h5-6H,7-8H2,1-4H3 |
| InChIKey |
YBRKSJMNLDZGDD-UHFFFAOYSA-N |
| Molecular Weight |
338.312 g/mol |
| SMILES |
C1(=C(C(COC(C)=O)=CC=C1COC(C)=O)OC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861666 |
