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4-Piperidinecarboxylic acid, 1-[[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]carbonyl]-
SpectraBase Compound ID LiWUEdXrcMq
InChI InChI=1S/C16H19NO4S/c1-16(2,21)8-5-12-3-4-13(22-12)14(18)17-9-6-11(7-10-17)15(19)20/h3-4,11,21H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKey OBENOXQFJZXHRI-UHFFFAOYSA-N
Mol Weight 321.39 g/mol
Molecular Formula C16H19NO4S
Exact Mass 321.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp2P9gWi8Uo
Name 4-Piperidinecarboxylic acid, 1-[[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]carbonyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4S
InChI InChI=1S/C16H19NO4S/c1-16(2,21)8-5-12-3-4-13(22-12)14(18)17-9-6-11(7-10-17)15(19)20/h3-4,11,21H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKey OBENOXQFJZXHRI-UHFFFAOYSA-N
Molecular Weight 321.391 g/mol
SMILES OC(C1CCN(C(c2ccc(C#CC(C)(O)C)s2)=O)CC1)=O
SPLASH splash10-002f-6902000000-ab25089a4216ee1a606a
Source of Spectrum IY-1-4476-2
Synonyms 1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]-4-piperidinecarboxylic acid 1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]piperidine-4-carboxylic acid 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]piperidine-4-carboxylic acid 1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylpiperidine-4-carboxylic acid
Wiley ID 1652745