| SpectraBase Spectrum ID |
2twSjECTXR |
| Name |
Methyl pimarate |
| CAS Registry Number |
3730-56-1 |
| 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 |
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/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17+,19+,20+,21+/m0/s1 |
| InChIKey |
BGCXKCIPDDNDEV-MIGBRYPXSA-N |
| Molecular Weight |
316.485 g/mol |
| Nominal Mass |
316 u |
| Number of Peaks |
192 |
| SMILES |
C[C@]12[C@]([C@@](C(OC)=O)(C)CCC2)(CCC=2[C@@]1(CC[C@](C2)(C=C)C)[H])[H] |
| SPLASH |
splash10-05fu-4920000000-fe9f43574baf419f5488 |
| Source |
EX. PICEA ABIES TERPENE ACIDS, ME ESTERS |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000957 |
