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YEHCICAEULNIGD-MZMPZRCHSA-N

View entire compound with spectra: 1 NMR, and 5 MS (GC)

YEHCICAEULNIGD-MZMPZRCHSA-N
SpectraBase Compound ID 4HzEbNioqLL
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/t13-,16-,18-/m1/s1
InChIKey YEHCICAEULNIGD-MZMPZRCHSA-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 Jh8St4dypAG
Name 8-[(Methylsulfanyl)methyl]-6-propylergoline
Alternate Name(s) (8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline 8.beta.-[(Methylthio)methyl]-6-propylergoline Ergoline, 8-((methylthio)methyl)-6-propyl-, (8beta)- Pergolida Pergolide Pergolidum Permax (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CAS Registry Number 66104-22-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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/t13-,16-,18-/m1/s1
InChIKey YEHCICAEULNIGD-MZMPZRCHSA-N
Molecular Weight 314.491 g/mol
SMILES [nH]1c2c3c(c1)C[C@]1(N(C[C@@](C[C@@]1(c3ccc2)[H])(CSC)[H])CCC)[H]
SPLASH splash10-03dr-2954000000-a9219b054cea72e02a99
Wiley ID 1509548