| SpectraBase Spectrum ID |
9Ct5eWDO6im |
| Name |
Apiole |
| CAS Registry Number |
523-80-8 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
222.089208927 u |
| Formula |
C12H14O4 |
| 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/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3 |
| InChIKey |
QQRSPHJOOXUALR-UHFFFAOYSA-N |
| Molecular Weight |
222.240 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
149 |
| SMILES |
COc1c2c(c(cc1CC=C)OC)OCO2 |
| SPLASH |
splash10-00di-6970000000-fdd263daaf45c29e9110 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000092 |
