For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 30EuigGdaC
Name Pergolide
CAS Registry Number 66104-22-1
Classification Antiparkinsonian
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 314.181670019 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 314.491 g/mol
SMILES c12c3c(cccc3[nH]c1)C1C(C2)N(CC(CSC)C1)CCC
SPLASH splash10-0j4r-3944000000-44053ad646beebd96d06
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5627