| SpectraBase Spectrum ID |
1RLFghkJ0CS |
| Name |
D-Glucopyranose, 3-acetyl-2,4-dibenzoyl-1-chloro-1,6-dedioxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.097580709 u |
| Formula |
C22H21ClO7 |
| InChI |
InChI=1S/C22H21ClO7/c1-13-17(29-21(25)15-9-5-3-6-10-15)18(28-14(2)24)19(20(23)27-13)30-22(26)16-11-7-4-8-12-16/h3-13,17-20H,1-2H3 |
| InChIKey |
RAMRNZGBYWZRHY-UHFFFAOYSA-N |
| Molecular Weight |
432.856 g/mol |
| SMILES |
C1(OC(C(C(C1OC(=O)C1=CC=CC=C1)OC(=O)C)OC(=O)C1=CC=CC=C1)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973733 |
