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Pyrrobutamine
SpectraBase Compound ID HWMQja4cUJl
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
Mol Weight 311.86 g/mol
Molecular Formula C20H22ClN
Exact Mass 311.144077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dhthgrut0wa
Name Pyrrobutamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Ionization Type EI-B
Molecular Weight 311.856 g/mol
SMILES c1(Cl)ccc(cc1)CC(=CCN1CCCC1)c1ccccc1
SPLASH splash10-052f-5690000000-1d5d9e451f4b577fb02f
Source of Spectrum SRH-2022-3851-0
Wiley ID 1826074