SpectraBase Compound ID | EqloG7IfnXB |
---|---|
InChI | InChI=1S/C15H12ClNO3.C8H10N2S/c1-9-6-7-10(8-13(9)16)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 | YIYSJMXMUXMZQT-UHFFFAOYSA-N |
Mol Weight | 455.96 g/mol |
Molecular Formula | C23H22ClN3O3S |
Exact Mass | 455.10704 g/mol |
SpectraBase Spectrum ID | 7Gl5xTbASau |
---|---|
Name | 3'-chloro-4'-methylphthalanilic acid, compound with 2-benzyl-2-thiopseudourea(1:1) |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C23H22ClN3O3S |
InChI | InChI=1S/C15H12ClNO3.C8H10N2S/c1-9-6-7-10(8-13(9)16)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 | YIYSJMXMUXMZQT-UHFFFAOYSA-N |
Sadtler IR Number | 33994 |
Sadtler UV Number | 15148N |
Solvent | Methanol |