| SpectraBase Spectrum ID |
BQUP1GbvcTL |
| Name |
Methyl (2R,3R,4R)-[4-(benzenesulfinyl)-4-methyl-5-oxo-2-propyl-tetrahydrofuran-3-yl]acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.118794977 u |
| Formula |
C17H22O5S |
| InChI |
InChI=1S/C17H22O5S/c1-4-8-14-13(11-15(18)21-3)17(2,16(19)22-14)23(20)12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8,11H2,1-3H3/t13-,14-,17-,23?/m1/s1 |
| InChIKey |
ISHYSMRFPYTISY-WEAXMXDSSA-N |
| Molecular Weight |
338.418 g/mol |
| SMILES |
[C@]1(C(O[C@@]([C@]1(CC(=O)OC)[H])(CCC)[H])=O)(S(=O)C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908178 |
![Methyl (2R,3R,4R)-[4-(benzenesulfinyl)-4-methyl-5-oxo-2-propyl-tetrahydrofuran-3-yl]acetate](/api/spectrum/BQUP1GbvcTL/structure.png?h=300&w=458 "Methyl (2R,3R,4R)-[4-(benzenesulfinyl)-4-methyl-5-oxo-2-propyl-tetrahydrofuran-3-yl]acetate")
