| SpectraBase Spectrum ID |
16eHfBZH80m |
| Name |
Encecalin |
| CAS Registry Number |
20628-09-5 |
| 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 |
232.109944372 u |
| Formula |
C14H16O3 |
| 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/C14H16O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-8H,1-4H3 |
| InChIKey |
WXVLCNREBFDEKS-UHFFFAOYSA-N |
| Molecular Weight |
232.279 g/mol |
| Nominal Mass |
232 u |
| Number of Peaks |
181 |
| SMILES |
CC(=O)c1cc2c(cc1OC)OC(C=C2)(C)C |
| SPLASH |
splash10-014i-2390000000-4ec83cc27080a7f0f111 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000523 |
