| SpectraBase Spectrum ID |
1SHISF4dSJ2 |
| Name |
Methyl abietate |
| CAS Registry Number |
127-25-3 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| 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/C21H32O2/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/h8,13-14,17-18H,6-7,9-12H2,1-5H3 |
| InChIKey |
OVXRPXGVKBHGQO-UHFFFAOYSA-N |
| Molecular Weight |
316.485 g/mol |
| Nominal Mass |
316 u |
| Number of Peaks |
198 |
| SMILES |
C12C(CCCC2(C2C(=CC1)C=C(C(C)C)CC2)C)(C)C(OC)=O |
| SPLASH |
splash10-0a4l-4951000000-cc22d9d07c74b8f4dcaf |
| Source |
PICEA ABIES, ME ESTERS OF DITERPENE ACIDS |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001867 |
