| SpectraBase Spectrum ID |
Hpz7KGJEt2S |
| Name |
Totarol, methyl ether |
| CAS Registry Number |
70905-78-1 |
| 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 |
300.245315649 u |
| Formula |
C21H32O |
| 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/C21H32O/c1-14(2)19-15-8-11-18-20(3,4)12-7-13-21(18,5)16(15)9-10-17(19)22-6/h9-10,14,18H,7-8,11-13H2,1-6H3/t18-,21-/m0/s1 |
| InChIKey |
DORDKDUSCNWFPJ-RXVVDRJESA-N |
| Molecular Weight |
300.486 g/mol |
| Nominal Mass |
300 u |
| Number of Peaks |
214 |
| SMILES |
COc1c(c2CC[C@]3(C(CCC[C@]3(c2cc1)C)(C)C)[H])C(C)C |
| SPLASH |
splash10-000i-4890000000-1281a43f37ac2c5b8888 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001344 |
