| SpectraBase Spectrum ID |
AHgaByyVfV3 |
| Name |
2-(Bromomethyl)-2-methyl-3-(octadecylthio)-3-oxopropanoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.227279480 u |
| Formula |
C24H45BrO3S |
| InChI |
InChI=1S/C24H45BrO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(27)24(2,21-25)22(26)28-3/h4-21H2,1-3H3 |
| InChIKey |
QRIHLNWGFPCZJV-UHFFFAOYSA-N |
| Molecular Weight |
493.585 g/mol |
| SMILES |
C(C(=O)SCCCCCCCCCCCCCCCCCC)(C(=O)OC)(CBr)C |
