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1-[2-(Thiophen-2-yl)ethyl]piperidin-4-yl-2-methyl benzoate
SpectraBase Compound ID DEE0kXHi96c
InChI InChI=1S/C19H23NO2S/c1-15-5-2-3-7-18(15)19(21)22-16-8-11-20(12-9-16)13-10-17-6-4-14-23-17/h2-7,14,16H,8-13H2,1H3
InChIKey PRBLAPVDUFXGDI-UHFFFAOYSA-N
Mol Weight 329.46 g/mol
Molecular Formula C19H23NO2S
Exact Mass 329.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4OKe0twDbs
Name 1-[2-(Thiophen-2-yl)ethyl]piperidin-4-yl-2-methyl benzoate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 329.144950157 u
Formula C19H23NO2S
InChI InChI=1S/C19H23NO2S/c1-15-5-2-3-7-18(15)19(21)22-16-8-11-20(12-9-16)13-10-17-6-4-14-23-17/h2-7,14,16H,8-13H2,1H3
InChIKey PRBLAPVDUFXGDI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 329.458 g/mol
Nominal Mass 329 u
Quality 1000
Retention Index 2633
SMILES C(C1=C(C=CC=C1)C)(OC1CCN(CC1)CCC=1SC=CC1)=O
SPLASH splash10-00lr-7590000000-827f3967cdda97f2733a
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_027130