| SpectraBase Spectrum ID |
2IzTTWUkERJ |
| Name |
7-Methyl-2-(7-oxonona-1,3-dienyl)-3H-azepine |
| Alternate Name(s) |
(6E,8Z)-9-(7-methyl-3H-azepin-2-yl)-6,8-nonadien-3-one
Isochaciporone |
| CAS Registry Number |
112448-72-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21NO |
| InChI |
InChI=1S/C16H21NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-11H,3,7,12-13H2,1-2H3/b5-4+,11-6- |
| InChIKey |
WOIOXNFWBXFNFJ-QTJNYWJXSA-N |
| Molecular Weight |
243.350 g/mol |
| SMILES |
C=1(N=C(CC=CC1)\C=C/C=C/CCC(=O)CC)C |
| SPLASH |
splash10-0a4i-1900000000-ad1ec49501d1221035bb |
| Source of Spectrum |
F-43-1081-3 |
| Wiley ID |
1246248 |
