| SpectraBase Spectrum ID |
4vI7b6TvuP6 |
| Name |
Methyl pimarate |
| CAS Registry Number |
3730-56-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O2 |
| 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/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 |
| 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 |
1886718 |
