| SpectraBase Spectrum ID |
1ppWxOLIum |
| Name |
Andro encecalinol |
| CAS Registry Number |
62458-61-1 |
| 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 |
216.115029753 u |
| Formula |
C14H16O2 |
| 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/C14H16O2/c1-5-10-8-11-6-7-14(2,3)16-13(11)9-12(10)15-4/h5-9H,1H2,2-4H3 |
| InChIKey |
RRUFTPKJXNXMAE-UHFFFAOYSA-N |
| Molecular Weight |
216.280 g/mol |
| Nominal Mass |
216 u |
| Number of Peaks |
152 |
| SMILES |
COc1cc2c(cc1C=C)C=CC(O2)(C)C |
| SPLASH |
splash10-0udi-2490000000-bf0d50c1d0a73338ab9e |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000071 |
