| SpectraBase Spectrum ID |
Ftcj5Wa93zl |
| Name |
Methyl (+-)-2,4,6-trideoxy-2,4,6-trimethyl-7-o-(phenylmethyl)-D-glycero-.alpha.-D-ido-heptopyranoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.198759378 u |
| Formula |
C18H28O4 |
| InChI |
InChI=1S/C18H28O4/c1-12(10-21-11-15-8-6-5-7-9-15)17-13(2)16(19)14(3)18(20-4)22-17/h5-9,12-14,16-19H,10-11H2,1-4H3/t12?,13-,14+,16-,17-,18+/m0/s1 |
| InChIKey |
ZULLKTVTQRLBPC-JSYXCTRBSA-N |
| Molecular Weight |
308.418 g/mol |
| SMILES |
[C@@]1(O[C@]([C@@]([C@]([C@@]1(C)[H])(O)[H])(C)[H])(OC)[H])(C(COCC=1C=CC=CC1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937751 |
