| SpectraBase Spectrum ID |
28oXRSUbSKU |
| Name |
Methyl daniellate |
| CAS Registry Number |
1238-98-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O3 |
| 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/C21H30O3/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(22)23-4)17(15)8-7-16-10-13-24-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3 |
| InChIKey |
DCZZBGIVZGGJDO-UHFFFAOYSA-N |
| Molecular Weight |
330.468 g/mol |
| SMILES |
C12(C)C(C(C(OC)=O)(C)CCC2)CCC(C1CCc1ccoc1)=C |
| SPLASH |
splash10-05al-9710000000-8a3a453f12733ee9b823 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1887636 |
![1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester, [1R-(1.alpha.,4a.alpha.,5.alpha.,8a.beta.)]-](/api/spectrum/28oXRSUbSKU/structure.png?h=300&w=458 "1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester, [1R-(1.alpha.,4a.alpha.,5.alpha.,8a.beta.)]-")
