| SpectraBase Spectrum ID |
89cnrlXDofU |
| Name |
Isoquinolin-1(2H)-one |
| Appearance |
Brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
145.052763848 u |
| Formula |
C9H7NO |
| GC Column |
DB-35MS and HP-5MS |
| InChI |
InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11) |
| InChIKey |
VDBNYAPERZTOOF-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP-6890N-HP5973N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02770 |
| Quality |
142 |
| Reported Formula |
C9H7NO |
| SMILES |
N1C=CC2=C(C1=O)C=CC=C2 |
| SPLASH |
splash10-0002-1900000000-72dd60dbdcef8a3cd6b0 |
| Source of Spectrum |
JOC-88-1191-11 (DOI: 10.1021/acs.joc.2c02770) |
| Wiley ID |
1912627 |
