| SpectraBase Spectrum ID |
H83eju9VmSK |
| Name |
.beta.-D-Mannopyranoside, methyl 6-bromo-6-deoxy-2,3,4-tris-o-(phenylmethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.135487093 u |
| Formula |
C28H31BrO5 |
| InChI |
InChI=1S/C28H31BrO5/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-28H,17-20H2,1H3/t24-,25-,26+,27+,28-/m1/s1 |
| InChIKey |
GBRWKBAOTRGDCL-URYJJRPLSA-N |
| Molecular Weight |
527.455 g/mol |
| SMILES |
[C@]1([C@]([C@](OCC=2C=CC=CC2)([C@](O[C@]1(OC)[H])(CBr)[H])[H])(OCC=1C=CC=CC1)[H])(OCC=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896826 |
