| SpectraBase Spectrum ID |
Dkgyrsk5M6u |
| Name |
4,6-di-o-Acetyl-3-bromo-2,3-dideoxy-.beta.-D-arabinohexopyranosyl isothiocyanate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.977606724 u |
| Formula |
C11H14BrNO5S |
| InChI |
InChI=1S/C11H14BrNO5S/c1-6(14)16-4-9-11(17-7(2)15)8(12)3-10(18-9)13-5-19/h8-11H,3-4H2,1-2H3/t8-,9-,10?,11+/m1/s1 |
| InChIKey |
ZFWUFNCUUDCYMB-RRXGQLPOSA-N |
| Molecular Weight |
352.199 g/mol |
| SMILES |
[C@@]1([C@](OC(C[C@]1(Br)[H])N=C=S)(COC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887833 |
