| SpectraBase Spectrum ID |
FS8V2yosMbw |
| Name |
N-{(S)-1-Hydroxy-3-(4-methoxybenzyloxy)-2-[(2T,3R,4S)-3-benzyloxy-5-methoxyoxolan-2-yl]propan-2-yl)trichloroacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
561.108785403 u |
| Formula |
C25H30Cl3NO7 |
| InChI |
InChI=1S/C25H30Cl3NO7/c1-32-19-10-8-18(9-11-19)13-34-16-24(15-30,29-23(31)25(26,27)28)22-20(12-21(33-2)36-22)35-14-17-6-4-3-5-7-17/h3-11,20-22,30H,12-16H2,1-2H3,(H,29,31)/t20-,21+,22+,24?/m1/s1 |
| InChIKey |
MBUNNXUJGIKJEC-PQSRQHIVSA-N |
| Molecular Weight |
562.874 g/mol |
| SMILES |
C([C@]1(O[C@](OC)(C[C@]1(OCC=1C=CC=CC1)[H])[H])[H])(NC(C(Cl)(Cl)Cl)=O)(COCC1=CC=C(C=C1)OC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873193 |
![N-{(S)-1-Hydroxy-3-(4-methoxybenzyloxy)-2-[(2T,3R,4S)-3-benzyloxy-5-methoxyoxolan-2-yl]propan-2-yl)trichloroacetamide](/api/spectrum/FS8V2yosMbw/structure.png?h=300&w=458 "N-{(S)-1-Hydroxy-3-(4-methoxybenzyloxy)-2-[(2T,3R,4S)-3-benzyloxy-5-methoxyoxolan-2-yl]propan-2-yl)trichloroacetamide")
