| SpectraBase Spectrum ID |
1nk2iSBCwL2 |
| Name |
Encecalin |
| CAS Registry Number |
20628-09-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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 |
| SMILES |
COc1cc2c(cc1C(C)=O)C=CC(O2)(C)C |
| SPLASH |
splash10-014i-2390000000-4ec83cc27080a7f0f111 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1886284 |
