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1-[2-(Thiophen-2-yl)ethyl]piperidin-4-yl hexanoate
SpectraBase Compound ID Jx7eRirZsws
InChI InChI=1S/C17H27NO2S/c1-2-3-4-7-17(19)20-15-8-11-18(12-9-15)13-10-16-6-5-14-21-16/h5-6,14-15H,2-4,7-13H2,1H3
InChIKey VEAJWLSKTQIFNF-UHFFFAOYSA-N
Mol Weight 309.47 g/mol
Molecular Formula C17H27NO2S
Exact Mass 309.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JELWHnWL4pU
Name 1-[2-(Thiophen-2-yl)ethyl]piperidin-4-yl hexanoate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 309.176250285 u
Formula C17H27NO2S
InChI InChI=1S/C17H27NO2S/c1-2-3-4-7-17(19)20-15-8-11-18(12-9-15)13-10-16-6-5-14-21-16/h5-6,14-15H,2-4,7-13H2,1H3
InChIKey VEAJWLSKTQIFNF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 309.468 g/mol
Nominal Mass 309 u
Quality 1000
Retention Index 2305
SMILES C1(CCN(CC1)CCC=1SC=CC1)OC(CCCCC)=O
SPLASH splash10-03di-7290000000-954cd6f6ef15699c974b
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_026856