| SpectraBase Spectrum ID |
FQAGGC97oN2 |
| Name |
Isoquinoline, 1-(phenylethynyl)- |
| CAS Registry Number |
70437-09-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H11N |
| InChI |
InChI=1S/C17H11N/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17/h1-9,12-13H |
| InChIKey |
JNSVNHMWHHKCTC-UHFFFAOYSA-N |
| Molecular Weight |
229.282 g/mol |
| SMILES |
C(#Cc1ccccc1)c1nccc2c1cccc2 |
| SPLASH |
splash10-0fb9-0090000000-1a696a3ca77643b4e45a |
| Source of Spectrum |
B-42-284-0 |
| Synonyms |
1-(2-Phenylethynyl)isoquinoline |
| Wiley ID |
1231036 |
