| SpectraBase Spectrum ID |
7XIFWpNq0kh |
| Name |
Anis aldehyde |
| CAS Registry Number |
123-11-5 |
| 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 |
136.052429496 u |
| Formula |
C8H8O2 |
| 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/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3 |
| InChIKey |
ZRSNZINYAWTAHE-UHFFFAOYSA-N |
| Molecular Weight |
136.150 g/mol |
| Nominal Mass |
136 u |
| Number of Peaks |
74 |
| SMILES |
COc1ccc(cc1)C=O |
| SPLASH |
splash10-000i-6900000000-1b00e5b2ced159721eac |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000077 |
