| SpectraBase Spectrum ID |
A3fWn0Wdnlp |
| Name |
1-[4-(tert-Butyl)phenyl]-4,5-dihydro-3H-isothiazole 1-oxide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.118735409 u |
| Formula |
C13H19NOS |
| InChI |
InChI=1S/C13H19NOS/c1-13(2,3)11-5-7-12(8-6-11)16(15)10-4-9-14-16/h5-8H,4,9-10H2,1-3H3 |
| InChIKey |
GWUWQIHUMPFFIV-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201804284 |
| Molecular Weight |
237.361 g/mol |
| Reported Formula |
C13H19NOS |
| SMILES |
C1(=CC=C(C=C1)C(C)(C)C)S1(=NCCC1)=O |
| SPLASH |
splash10-001r-0950000000-1617856301bd62e43449 |
| Source of Spectrum |
ACI-57-SM13-2c (DOI: 10.1002/anie.201804284) |
| Thin-Layer Chromatography |
0.52 (EtOAc/MeOH, 10:1) |
| Wiley ID |
1893336 |
![1-[4-(tert-Butyl)phenyl]-4,5-dihydro-3H-isothiazole 1-oxide](/api/spectrum/A3fWn0Wdnlp/structure.png?h=300&w=458 "1-[4-(tert-Butyl)phenyl]-4,5-dihydro-3H-isothiazole 1-oxide")
