| SpectraBase Spectrum ID |
JIS8GXe2aTQ |
| Name |
Nicotyrine |
| CAS Registry Number |
59523-19-2 |
| Classification |
Tobacco alkaloid |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
158.084398330 u |
| Formula |
C10H10N2 |
| InChI |
InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3 |
| InChIKey |
RYFOJXFXERAMLS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
158.204 g/mol |
| Nominal Mass |
158 u |
| Quality |
993 |
| Retention Index |
1493 |
| SMILES |
C=1(C=2C=NC=CC2)N(C=CC1)C |
| SPLASH |
splash10-0a4i-2900000000-cc1630469811118a20c8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
alpha-Nicotyrine
beta-Nicotyrine
3-(1-Methylpyrrol-2-yl)pyridine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007000 |
