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Hexanoic acid, 2-[[[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]carbonyl]amino]-
SpectraBase Compound ID FetdU1aWTbZ
InChI InChI=1S/C16H21NO4S/c1-4-5-6-12(15(19)20)17-14(18)13-8-7-11(22-13)9-10-16(2,3)21/h7-8,12,21H,4-6H2,1-3H3,(H,17,18)(H,19,20)
InChIKey LDIRHMPPDZILID-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C16H21NO4S
Exact Mass 323.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHcryRMVOxB
Name Hexanoic acid, 2-[[[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]carbonyl]amino]-
Alternate Name(s) 2-[[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]amino]hexanoic acid 2-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]amino]hexanoic acid 2-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylamino]hexanoic acid
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Formula C16H21NO4S
InChI InChI=1S/C16H21NO4S/c1-4-5-6-12(15(19)20)17-14(18)13-8-7-11(22-13)9-10-16(2,3)21/h7-8,12,21H,4-6H2,1-3H3,(H,17,18)(H,19,20)
InChIKey LDIRHMPPDZILID-UHFFFAOYSA-N
Molecular Weight 323.407 g/mol
SMILES N(C(c1sc(C#CC(O)(C)C)cc1)=O)C(C(=O)O)CCCC
SPLASH splash10-0006-4920000000-5f64e325147e111e8afe
Source of Spectrum IY-1-4464-7
Wiley ID 1652630