| SpectraBase Spectrum ID |
KPuJvQ8IhkC |
| Name |
Pyrrobutamine |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula |
C20H22ClN |
| InChI |
InChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2 |
| InChIKey |
WDYYVNNRTDZKAZ-UHFFFAOYSA-N |
| SMILES |
c1(CC(=CCN2CCCC2)c2ccccc2)ccc(cc1)Cl |
| SPLASH |
splash10-0a6u-5890000000-32c54eb8f068b925f211 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
