| SpectraBase Spectrum ID |
8K3jjVXKKQK |
| Name |
Chlorthalidone 3ME |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
380.059755905 u |
| Formula |
C17H17ClN2O4S |
| InChI |
InChI=1S/C17H17ClN2O4S/c1-19(2)25(23,24)15-10-11(8-9-14(15)18)17(22)13-7-5-4-6-12(13)16(21)20(17)3/h4-10,22H,1-3H3 |
| InChIKey |
ACCFSOGJYLBKDC-UHFFFAOYSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
380.846 g/mol |
| Nominal Mass |
380 u |
| Reagent Gas |
Methane |
| Retention Index |
2931 |
| SMILES |
OC1(C=2C(C(N1C)=O)=CC=CC2)C1=CC(S(N(C)C)(=O)=O)=C(C=C1)Cl |
| SPLASH |
splash10-001i-0009000000-d3f0445fa7890f77e2e7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Chloro-5-(1-hydroxy-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-N,N-dimethylbenzene-1-\rsulfonamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000679 |
