| SpectraBase Spectrum ID |
AHEsQ0fYIIb |
| Name |
trans-Totarol methyl ether |
| Alternate Name(s) |
Totarol, methyl ether |
| CAS Registry Number |
15340-83-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O |
| 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/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-GHTZIAJQSA-N |
| Molecular Weight |
300.486 g/mol |
| SMILES |
[C@@]12([H])C(CCC[C@@]2(c2ccc(OC)c(C(C)C)c2CC1)C)(C)C |
| SPLASH |
splash10-052u-5940000000-295367f3baaf47ba6b35 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1887107 |
