| SpectraBase Spectrum ID |
Jf1RKnBRbaA |
| Name |
(2R,3S,4S,5S,6S)-5-Benzoxy-2-(benzoxymethyl)-6-methoxy-tetrahydropyran-3,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.172938551 u |
| Formula |
C21H26O6 |
| InChI |
InChI=1S/C21H26O6/c1-24-21-20(26-13-16-10-6-3-7-11-16)19(23)18(22)17(27-21)14-25-12-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18-,19+,20+,21+/m1/s1 |
| InChIKey |
HHNWKVMGSBHJLO-MJCUULBUSA-N |
| Molecular Weight |
374.433 g/mol |
| SMILES |
[C@]1([C@]([C@](O)([C@](O[C@@]1(OC)[H])(COCC1=CC=CC=C1)[H])[H])(O)[H])(OCC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900374 |
