| SpectraBase Spectrum ID |
1ecTj3od7JU |
| Name |
(+)-(2S)-5-benzenesulfonyl-1-iodo-2-(4-methoxybenzyloxy)pent-3-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.020525326 u |
| Formula |
C19H21IO4S |
| InChI |
InChI=1S/C19H21IO4S/c1-23-17-11-9-16(10-12-17)15-24-18(14-20)6-5-13-25(21,22)19-7-3-2-4-8-19/h2-12,18H,13-15H2,1H3/b6-5+/t18-/m0/s1 |
| InChIKey |
ULLOMOJVDTYMND-QWNKOJSDSA-N |
| Molecular Weight |
472.337 g/mol |
| SMILES |
C=1(S(=O)(=O)C\C=C\[C@](OCC=2C=CC(=CC2)OC)(CI)[H])C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952397 |
