| SpectraBase Spectrum ID |
6y46CLR91DB |
| Name |
Desmethoxy encecalin |
| CAS Registry Number |
19013-07-1 |
| 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 |
202.099379689 u |
| Formula |
C13H14O2 |
| 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/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3 |
| InChIKey |
ZAJTXVHECZCXLH-UHFFFAOYSA-N |
| Molecular Weight |
202.253 g/mol |
| Nominal Mass |
202 u |
| Number of Peaks |
131 |
| SMILES |
C(=O)(c1cc2c(OC(C)(C)C=C2)cc1)C |
| SPLASH |
splash10-000i-2900000000-2e40b286faa8b7efe51a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000469 |
