| SpectraBase Spectrum ID |
4su3V9DLAtp |
| Name |
o-Methyl-pisiferic acid - methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.235144887 u |
| Formula |
C22H32O3 |
| InChI |
InChI=1S/C22H32O3/c1-14(2)16-12-15-8-9-19-21(3,4)10-7-11-22(19,5)17(15)13-18(16)25-20(23)24-6/h12-14,19H,7-11H2,1-6H3/t19?,22-/m1/s1 |
| InChIKey |
GAEGUFMJTMMMHO-AVKWCDSFSA-N |
| Molecular Weight |
344.495 g/mol |
| SMILES |
[C@]12(C=3C=C(OC(=O)OC)C(=CC3CCC1C(C)(C)CCC2)C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877693 |
