| SpectraBase Spectrum ID |
9hVpCfZk2Tg |
| Name |
5'-Chloro-2'-methylphthalanilic acid, compound with 2-benzyl-thiopseudourea (1:1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.107040451 u |
| Formula |
C23H22ClN3O3S |
| InChI |
InChI=1S/C15H12ClNO3.C8H10N2S/c1-9-6-7-10(16)8-13(9)17-14(18)11-4-2-3-5-12(11)15(19)20;9-8(10)11-6-7-4-2-1-3-5-7/h2-8H,1H3,(H,17,18)(H,19,20);1-5H,6H2,(H3,9,10) |
| InChIKey |
VGEHJVVNVFMXEF-UHFFFAOYSA-N |
| SMILES |
N(C1=CC(Cl)=CC=C1C)C(C1=C(C(=O)O)C=CC=C1)=O.N=C(SCC1=CC=CC=C1)N |
