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cis-5-Butyl-2-[4'-(ethoxycarbonyl)butyl]pyrrolidinium-chloride
SpectraBase Compound ID 4FypVF0QdY0
InChI InChI=1S/C15H29NO2.ClH/c1-3-5-8-13-11-12-14(16-13)9-6-7-10-15(17)18-4-2;/h13-14,16H,3-12H2,1-2H3;1H/t13-,14+;/m1./s1
InChIKey DQEUHDJLXAHSIW-DFQHDRSWSA-N
Mol Weight 291.86 g/mol
Molecular Formula C15H30ClNO2
Exact Mass 291.196507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSS444CUntR
Name cis-5-Butyl-2-[4'-(ethoxycarbonyl)butyl]pyrrolidinium-chloride
Alternate Name(s) (2R,5S)-2-butyl-5-(5-ethoxy-5-oxopentyl)pyrrolidin-1-ium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H30ClNO2
InChI InChI=1S/C15H29NO2.ClH/c1-3-5-8-13-11-12-14(16-13)9-6-7-10-15(17)18-4-2;/h13-14,16H,3-12H2,1-2H3;1H/t13-,14+;/m1./s1
InChIKey DQEUHDJLXAHSIW-DFQHDRSWSA-N
Literature Reference DOI 10.1002/hlca.19910740221
Molecular Weight 291.863 g/mol
SMILES [Cl-].[NH2+]1[C@@](CC[C@@]1(CCCCC(=O)OCC)[H])(CCCC)[H]
SPLASH splash10-0kdj-9800000000-8ab920b2e60f4dac171b
Source of Spectrum H-74-441-6
Wiley ID 1789192