| SpectraBase Spectrum ID |
HzEAc1L8rw0 |
| Name |
1-(4-Chlorophenyl)-4,5-dihydro-3H-isothiazole 1-oxide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H10ClNOS |
| InChI |
InChI=1S/C9H10ClNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11-13/h2-5H,1,6-7H2 |
| InChIKey |
YTJWDCVFJWRWHM-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201804284 |
| Molecular Weight |
215.698 g/mol |
| Quality |
22 |
| Reported Formula |
C9H10ClNOS |
| SMILES |
C1(=CC=C(C=C1)Cl)S1(=NCCC1)=O |
| SPLASH |
splash10-0bt9-0920000000-a52e33586fc17325b879 |
| Source of Spectrum |
ACI-57-SM14-2e (DOI: 10.1002/anie.201804284) |
| Thin-Layer Chromatography |
0.52 (EtOAc/MeOH, 10:1) |
| Wiley ID |
1893338 |
