| SpectraBase Spectrum ID |
1onR5rISibZ |
| Name |
16,28-Secosolanid-1,4-dien-3-one, (22.xi.,25.xi.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.318814943 u |
| Formula |
C27H41NO |
| InChI |
InChI=1S/C27H41NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h11,13,15,17-18,21-25,28H,5-10,12,14,16H2,1-4H3 |
| InChIKey |
JODMHGJPGVMCIL-UHFFFAOYSA-N |
| Molecular Weight |
395.631 g/mol |
| SMILES |
C1(C=CC2(C(=C1)CCC1C2CCC2(C1CCC2C(C)C1CCC(CN1)C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836883 |
