| SpectraBase Spectrum ID |
HXdjV8N8xpt |
| Name |
(1-butyl-2-methylsulfanyl-pyrrol-3-yl)-phenyl-methanone |
| Alternate Name(s) |
[1-butyl-2-(methylthio)-3-pyrrolyl]-phenylmethanone
[1-butyl-2-(methylthio)pyrrol-3-yl]-phenyl-methanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19NOS |
| InChI |
InChI=1S/C16H19NOS/c1-3-4-11-17-12-10-14(16(17)19-2)15(18)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3 |
| InChIKey |
UNXXYNSQDROEKM-UHFFFAOYSA-N |
| Molecular Weight |
273.394 g/mol |
| SMILES |
c1([n](ccc1C(c1ccccc1)=O)CCCC)SC |
| SPLASH |
splash10-00dl-0090000000-9d871b608909987e955b |
| Source of Spectrum |
SO-0-142-3 |
| Wiley ID |
1540460 |
