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Pergolide
SpectraBase Compound ID 5nuXt2J67Wu
InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3
InChIKey YEHCICAEULNIGD-UHFFFAOYSA-N
Mol Weight 314.49 g/mol
Molecular Formula C19H26N2S
Exact Mass 314.18167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0JcXELzJjf
Name Pergolide
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C19H26N2S
InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3
InChIKey YEHCICAEULNIGD-UHFFFAOYSA-N
SMILES [nH]1cc2CC3N(CC(CC3c3c2c1ccc3)CSC)CCC
SPLASH splash10-03dr-2944000000-8a72e36f9659014ab1bb
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences