| SpectraBase Spectrum ID |
B1CwPGypxLM |
| Name |
12-Methoxy-isoagath-13-en-15-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.271530397 u |
| Formula |
C21H36O2 |
| InChI |
InChI=1S/C21H36O2/c1-14-15(13-22)20(4)11-8-17-19(2,3)9-7-10-21(17,5)18(20)12-16(14)23-6/h16-18,22H,7-13H2,1-6H3/t16?,17?,18?,20-,21-/m0/s1 |
| InChIKey |
MXBWLCXHRLYLHE-CEJNIXRPSA-N |
| Molecular Weight |
320.517 g/mol |
| SMILES |
[C@]12(C([C@]3(CCCC(C3CC2)(C)C)C)CC(C(=C1CO)C)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93071 |
