SpectraBase Spectrum ID |
1byD6CyYo00 |
Name |
.alpha.-D-Erythro-pentofuranose, 3-deoxy-3-(dibromomethylene)-, 1,2-diacetate 5-benzoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
489.926278848 u |
Formula |
C17H16Br2O7 |
InChI |
InChI=1S/C17H16Br2O7/c1-9(20)24-14-13(15(18)19)12(26-17(14)25-10(2)21)8-23-16(22)11-6-4-3-5-7-11/h3-7,12,14,17H,8H2,1-2H3/t12-,14-,17+/m1/s1 |
InChIKey |
GXJPXUSOPGGZBG-MRRJBJDNSA-N |
Molecular Weight |
492.116 g/mol |
SMILES |
C1([C@]([C@@](OC(=O)C)(O[C@@]1(COC(=O)C=1C=CC=CC1)[H])[H])(OC(=O)C)[H])=C(Br)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942346 |