SpectraBase Spectrum ID |
Enw4Rq7Ion6 |
Name |
4-[13C]-5-Chloro-2-methyl-isothiazol-3-one |
Comments |
Less than 3 mono-isotopic peaks; Original formula: C3[13C]H4ClNOS |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C4H4ClNOS |
InChI |
InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3/i2+1 |
InChIKey |
DHNRXBZYEKSXIM-VQEHIDDOSA-N |
Molecular Weight |
150.587 g/mol |
SMILES |
[13CH]1=C(SN(C1=O)C)Cl |
SPLASH |
splash10-0udi-0900000000-a52d7d89fdadd9b03565 |
Source of Spectrum |
CRT-16-630-1b |
Wiley ID |
1715210 |