| SpectraBase Spectrum ID |
AexrlqLse |
| Name |
Totarol |
| CAS Registry Number |
511-15-9 |
| 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 |
286.229665585 u |
| Formula |
C20H30O |
| 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/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1 |
| InChIKey |
ZRVDANDJSTYELM-FXAWDEMLSA-N |
| Molecular Weight |
286.459 g/mol |
| Nominal Mass |
286 u |
| Number of Peaks |
202 |
| SMILES |
Oc1c(c2c([C@]3(C)[C@@](CC2)(C(C)(C)CCC3)[H])cc1)C(C)C |
| SPLASH |
splash10-00g3-4950000000-41ff3c6cf50f9733ecbd |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001345 |
