| SpectraBase Spectrum ID |
6IItVyq3UuK |
| Name |
1-[5-Acetyl-3-methyl-6-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-d][1,4]diazocin-9-yl]-2,2,2-trifluoroethanone |
| Alternate Name(s) |
1-[(4E)-5-acetyl-3-methyl-6-(4-methylphenyl)-2,6-dihydro-1H-pyrrolo[1,2-d][1,4]diazocin-9-yl]-2,2,2-trifluoroethanone
1-[(4E)-5-ethanoyl-3-methyl-6-(4-methylphenyl)-2,6-dihydro-1H-pyrrolo[1,2-d][1,4]diazocin-9-yl]-2,2,2-tris(fluoranyl)ethanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21F3N2O2 |
| InChI |
InChI=1S/C21H21F3N2O2/c1-13-4-6-15(7-5-13)19-16(14(2)27)12-25(3)10-11-26-17(19)8-9-18(26)20(28)21(22,23)24/h4-9,12,19H,10-11H2,1-3H3/b16-12- |
| InChIKey |
SWQZGOXXITVAFE-VBKFSLOCSA-N |
| Molecular Weight |
390.406 g/mol |
| SMILES |
c12[n](CCN(\C=C/(C2c2ccc(cc2)C)C(=O)C)C)c(cc1)C(C(F)(F)F)=O |
| SPLASH |
splash10-0006-9006000000-ef74b9cb55b70ba4e4dd |
| Source of Spectrum |
F-66-5145-34 |
| Wiley ID |
1683394 |
![1-[5-Acetyl-3-methyl-6-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-d][1,4]diazocin-9-yl]-2,2,2-trifluoroethanone](/api/spectrum/6IItVyq3UuK/structure.png?h=300&w=458 "1-[5-Acetyl-3-methyl-6-(4-methylphenyl)-1,2,3,6-tetrahydropyrrolo[1,2-d][1,4]diazocin-9-yl]-2,2,2-trifluoroethanone")
