| SpectraBase Spectrum ID |
7PG1oBjLqPT |
| Name |
5-(((2S,3R,E)-5-Iodo-3-((4-methoxybenzyl)oxy)-2-methylpent-4-en-1-yl)sulfonyl)-1-phenyl-1H-tetrazole |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23IN4O4S |
| InChI |
InChI=1S/C21H23IN4O4S/c1-16(20(12-13-22)30-14-17-8-10-19(29-2)11-9-17)15-31(27,28)21-23-24-25-26(21)18-6-4-3-5-7-18/h3-13,16,20H,14-15H2,1-2H3/b13-12+/t16-,20+/m1/s1 |
| InChIKey |
NGSBQKOLNLYLJJ-GMPUNJPXSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201804988 |
| Molecular Weight |
554.403 g/mol |
| Optical Rotation |
[a]D20 = +43.1 (c = 1.1, CHCl3) |
| Reported Formula |
C21H23N4O4IS |
| SMILES |
C([C@@](C)([C@](\C=C\I)(OCc1ccc(cc1)OC)[H])[H])S(c1nnn[n]1-c1ccccc1)(=O)=O |
| SPLASH |
splash10-00di-0900000000-edde31ec63129687881d |
| Source of Spectrum |
QE-25-SM6-10 |
| Wiley ID |
1845996 |
