| SpectraBase Spectrum ID |
2Je8bYd7vN |
| Name |
Methyl 7,13,15-abietatrienoate |
| CAS Registry Number |
54850-32-7 |
| 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/h8,13,17-18H,1,6-7,9-12H2,2-5H3 |
| InChIKey |
VFWGUFBDEBVPBM-UHFFFAOYSA-N |
| Molecular Weight |
314.469 g/mol |
| Nominal Mass |
314 u |
| Number of Peaks |
159 |
| SMILES |
CC12C(C(C(OC)=O)(C)CCC2)CC=C2C1CCC(=C2)C(C)=C |
| SPLASH |
splash10-0w30-3931000000-c7e49a1045524bf21c06 |
| Source |
PICEA ABIES, ME ESTERS OF DITERPENE ACIDS |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001866 |
