| SpectraBase Spectrum ID |
DuYtzkAzWOg |
| Name |
Isoquinoline |
| CAS Registry Number |
119-65-3 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
129.057849229 u |
| Formula |
C9H7N |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H |
| InChIKey |
AWJUIBRHMBBTKR-UHFFFAOYSA-N |
| Molecular Weight |
129.162 g/mol |
| Nominal Mass |
129 u |
| Number of Peaks |
44 |
| SMILES |
c1ccc2c(c1)cncc2 |
| SPLASH |
splash10-0fb9-7900000000-d5b2d519fac9ce20fa67 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000787 |
