| SpectraBase Spectrum ID |
AlcfhAnhkzn |
| Name |
3-(1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-yn-1-ylidene)-1-(methylsulfonyl)-indolin-2-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.064506934 u |
| Formula |
C25H18ClNO4S |
| InChI |
InChI=1S/C25H18ClNO4S/c1-31-20-14-7-17(8-15-20)9-16-21(18-10-12-19(26)13-11-18)24-22-5-3-4-6-23(22)27(25(24)28)32(2,29)30/h3-8,10-15H,1-2H3 |
| InChIKey |
QSQCXRIRMFVQPB-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201802237 |
| Molecular Weight |
463.935 g/mol |
| Reported Formula |
C25H18(35)ClNO4S |
| SMILES |
C1(Cl)=CC=C(C=C1)C(C#CC1=CC=C(OC)C=C1)=C1C(N(C2=C1C=CC=C2)S(C)(=O)=O)=O |
| SPLASH |
splash10-01ot-0007900000-5e2355a57cd0e0a10cb2 |
| Sample Comments |
E/Z = 67:33 |
| Source of Spectrum |
QE-24-SM9-5g (DOI: 10.1002/chem.201802237) |
| Wiley ID |
1901710 |
