| SpectraBase Spectrum ID |
6m7bmyN61OL |
| Name |
14-nor-Isoagath-12-en-14-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.229665585 u |
| Formula |
C19H30O |
| InChI |
InChI=1S/C19H30O/c1-13-7-8-15-18(4)11-6-10-17(2,3)14(18)9-12-19(15,5)16(13)20/h7,14-15H,6,8-12H2,1-5H3/t14?,15?,18-,19+/m0/s1 |
| InChIKey |
CVJBWVSCSYHXJI-QIRNKGDASA-N |
| SMILES |
[C@]12(C([C@]3(CCCC(C3CC2)(C)C)C)CC=C(C1=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881334 |
