| SpectraBase Spectrum ID |
4OHEB0psgZt |
| Name |
Ethyl 2,6-dideoxy-6,6,6-trifluoro-3-o-(1'-phenylethyl)-.beta.-D-arabinohexopyranoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.139193641 u |
| Formula |
C16H21F3O4 |
| InChI |
InChI=1S/C16H21F3O4/c1-3-21-13-9-12(14(20)15(23-13)16(17,18)19)22-10(2)11-7-5-4-6-8-11/h4-8,10,12-15,20H,3,9H2,1-2H3/t10?,12-,13+,14+,15+/m1/s1 |
| InChIKey |
LADPWKKONIPFLL-SHZWADADSA-N |
| Molecular Weight |
334.335 g/mol |
| SMILES |
[C@]1(C(F)(F)F)([C@]([C@](OC(C2=CC=CC=C2)C)(C[C@](O1)(OCC)[H])[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874692 |
