| SpectraBase Spectrum ID |
4TjQoE6rgf9 |
| Name |
Anisole |
| CAS Registry Number |
100-66-3 |
| 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 |
108.057514877 u |
| Formula |
C7H8O |
| 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/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey |
RDOXTESZEPMUJZ-UHFFFAOYSA-N |
| Molecular Weight |
108.140 g/mol |
| Nominal Mass |
108 u |
| Number of Peaks |
64 |
| SMILES |
COc1ccccc1 |
| SPLASH |
splash10-05r0-9300000000-079998cec8e455c1a455 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000081 |
