| SpectraBase Spectrum ID |
LfSRCZUNIRD |
| Name |
6-[2-(4-Methylsulfanylphenyl)ethynyl]isoquinoline |
| Alternate Name(s) |
6-[2-[4-(Methylthio)phenyl]ethynyl]isoquinoline |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H13NS |
| InChI |
InChI=1S/C18H13NS/c1-20-18-8-5-14(6-9-18)2-3-15-4-7-17-13-19-11-10-16(17)12-15/h4-13H,1H3 |
| InChIKey |
BFPGCTNXIBLJSP-UHFFFAOYSA-N |
| Molecular Weight |
275.369 g/mol |
| SMILES |
C(#Cc1ccc(cc1)SC)c1cc2ccncc2cc1 |
| SPLASH |
splash10-004i-0090000000-4029aea82e6f8c315567 |
| Source of Spectrum |
KC-0-444-6 |
| Wiley ID |
825092 |
![6-[2-(4-Methylsulfanylphenyl)ethynyl]isoquinoline](/api/spectrum/LfSRCZUNIRD/structure.png?h=300&w=458 "6-[2-(4-Methylsulfanylphenyl)ethynyl]isoquinoline")
