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1-[2-(Thiophen-2-yl)ethyl]piperidin-4-yl benzoate
SpectraBase Compound ID GFVmmEgxh17
InChI InChI=1S/C18H21NO2S/c20-18(15-5-2-1-3-6-15)21-16-8-11-19(12-9-16)13-10-17-7-4-14-22-17/h1-7,14,16H,8-13H2
InChIKey YXQKWVQZSIGJTP-UHFFFAOYSA-N
Mol Weight 315.43 g/mol
Molecular Formula C18H21NO2S
Exact Mass 315.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGwDOjyZxhY
Name 1-[2-(Thiophen-2-yl)ethyl]piperidin-4-yl benzoate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 315.129300092 u
Formula C18H21NO2S
InChI InChI=1S/C18H21NO2S/c20-18(15-5-2-1-3-6-15)21-16-8-11-19(12-9-16)13-10-17-7-4-14-22-17/h1-7,14,16H,8-13H2
InChIKey YXQKWVQZSIGJTP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 315.431 g/mol
Nominal Mass 315 u
Quality 1000
Retention Index 2552
SMILES C1(C(OC2CCN(CC2)CCC=2SC=CC2)=O)=CC=CC=C1
SPLASH splash10-014i-3390000000-62cb0e5c4083b9565da4
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_027132