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Ethyl 4-methyl-3-(1-piperidinylsulfonyl)benzoate
SpectraBase Compound ID G2oMSk8gR2m
InChI InChI=1S/C15H21NO4S/c1-3-20-15(17)13-8-7-12(2)14(11-13)21(18,19)16-9-5-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey LUIMSQDZKJJNEC-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C15H21NO4S
Exact Mass 311.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIGOigRF9ai
Name Ethyl 4-methyl-3-(1-piperidinylsulfonyl)benzoate
Classification Designer drug artifact
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 311.119129330 u
Formula C15H21NO4S
InChI InChI=1S/C15H21NO4S/c1-3-20-15(17)13-8-7-12(2)14(11-13)21(18,19)16-9-5-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey LUIMSQDZKJJNEC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 311.396 g/mol
Nominal Mass 311 u
Quality 967
Retention Index 2356
SMILES C=1(S(N2CCCCC2)(=O)=O)C(=CC=C(C1)C(OCC)=O)C
SPLASH splash10-001i-9311000000-8039a2c06c44202e146d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms QMPSB-A (-8-Hydroxychinoline,+EtOH) Ethyl-4-methyl-3-(1-piperidinylsulfonyl)benzoate
Technique GC/MS
Wiley ID DD2024_017531