| SpectraBase Spectrum ID |
1IQQXDER3iz |
| Name |
7-Methyl-2-(methylsulfanyl)-3-(1H-pyrrol-1-yl)-4,5-dihydro-3H-azepine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16N2S |
| InChI |
InChI=1S/C12H16N2S/c1-10-6-5-7-11(12(13-10)15-2)14-8-3-4-9-14/h3-4,6,8-9,11H,5,7H2,1-2H3 |
| InChIKey |
KYBNQOHPUQSLAA-UHFFFAOYSA-N |
| Molecular Weight |
220.334 g/mol |
| SMILES |
C1(=NC(=CCCC1[n]1cccc1)C)SC |
| SPLASH |
splash10-05fr-0190000000-8e80a4c22046d44306f0 |
| Source of Spectrum |
F4-43-2203-15f |
| Synonyms |
7-Methyl-3-(pyrrol-1-yl)-2-(methylsulfanyl)-4,5-dihydro-3H-azepine
7-Methyl-2-methylsulfanyl-3-(pyrrol-1-yl)-4,5-dihydro-3H-azepine |
| Wiley ID |
1675967 |
