| SpectraBase Spectrum ID |
HfwJrEIjKlw |
| Name |
2-(5-Iodo-5-methyloctyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.036509743 u |
| Formula |
C16H22INO3S |
| InChI |
InChI=1S/C16H22INO3S/c1-3-10-16(2,17)11-6-7-12-18-15(19)13-8-4-5-9-14(13)22(18,20)21/h4-5,8-9H,3,6-7,10-12H2,1-2H3 |
| InChIKey |
MKJGGDZGELVFMB-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201708197 |
| Molecular Weight |
435.320 g/mol |
| Quality |
210 |
| Reported Formula |
C16H22NO3SI |
| SMILES |
C(CCCCN1S(C2=C(C1=O)C=CC=C2)(=O)=O)(CCC)(C)I |
| SPLASH |
splash10-05fs-6910000000-ac79644294afd78268d5 |
| Source of Spectrum |
ACI-56-SM12-I-1v (DOI: 10.1002/anie.201708197) |
| Wiley ID |
1896590 |
![2-(5-Iodo-5-methyloctyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide](/api/spectrum/HfwJrEIjKlw/structure.png?h=300&w=458 "2-(5-Iodo-5-methyloctyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide")
