| SpectraBase Spectrum ID |
8dXuOdojCtv |
| Name |
Retrofractamide-D;N-isobutyl-10-(3',4'-methylenedioxyphenyl)-2(3),4(5),9(10)-decatrienamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.199093730 u |
| Formula |
C21H27NO3 |
| InChI |
InChI=1S/C21H27NO3/c1-17(2)15-22-21(23)11-9-7-5-3-4-6-8-10-18-12-13-19-20(14-18)25-16-24-19/h5,7-14,17H,3-4,6,15-16H2,1-2H3,(H,22,23)/b7-5+,10-8+,11-9+ |
| InChIKey |
QVKVGYVXAAXMSX-HJHGIKLDSA-N |
| Molecular Weight |
341.451 g/mol |
| SMILES |
C=12OCOC1C=CC(=C2)\C=C\CCC\C=C\C=C\C(=O)NCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984367 |
