| SpectraBase Spectrum ID |
ECaG2el8ArH |
| Name |
Methyl dehydroabietate |
| CAS Registry Number |
1235-74-1 |
| 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 |
314.224580204 u |
| Formula |
C21H30O2 |
| 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/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3 |
| InChIKey |
PGZCJOPTDHWYES-UHFFFAOYSA-N |
| Molecular Weight |
314.469 g/mol |
| Nominal Mass |
314 u |
| Number of Peaks |
204 |
| SMILES |
CC12C(C(C(OC)=O)(C)CCC2)CCc2c1ccc(c2)C(C)C |
| SPLASH |
splash10-000i-2691000000-3de0897f1c26bc0b8f33 |
| Source |
PICEA ABIES, ME ESTERS OF DITERPENE ACIDS |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000940 |
