| SpectraBase Spectrum ID |
DUNGMsapBJN |
| Name |
(E)-2-Amino-3-methyl-5-(1-methylheptylidene)-4-phenylcyclopent-2-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.209264492 u |
| Formula |
C20H27NO |
| InChI |
InChI=1S/C20H27NO/c1-4-5-6-8-11-14(2)17-18(15(3)19(21)20(17)22)16-12-9-7-10-13-16/h7,9-10,12-13,18H,4-6,8,11,21H2,1-3H3/b17-14+ |
| InChIKey |
XTBDLPHRVMCNLL-SAPNQHFASA-N |
| SMILES |
C1(\C(C(C(=C1N)C)C=1C=CC=CC1)=C\(CCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928036 |
