| SpectraBase Spectrum ID |
I55YIwI5UG8 |
| Name |
.beta.-D-Threo-hexopyranoside, methyl 2,4-dideoxy-6-o-(phenylmethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-16-14-8-12(15)7-13(18-14)10-17-9-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13+,14+/m1/s1 |
| InChIKey |
WEQIJRBYBSNPCA-RDBSUJKOSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
[C@]1(O[C@@](C[C@](C1)(O)[H])(COCC1=CC=CC=C1)[H])(OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9509 |
