| SpectraBase Spectrum ID |
3Q3bbORzQMr |
| Name |
9.11(13)-Eremophiladien-12-oic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.177630011 u |
| Formula |
C16H24O2 |
| InChI |
InChI=1S/C16H24O2/c1-11-6-5-7-14-9-8-13(10-16(11,14)3)12(2)15(17)18-4/h9,11,13H,2,5-8,10H2,1,3-4H3/t11-,13+,16+/m0/s1 |
| InChIKey |
KMBKGQRONXQUPB-NORZTCDRSA-N |
| Molecular Weight |
248.366 g/mol |
| SMILES |
COC(C(=C)[C@@]1(CC=C2[C@]([C@@](C)(CCC2)[H])(C)C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968093 |
