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2-Thiophenecarboxylic acid, 2-[(2-thienylcarbonyl)(tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl)amino]ethyl ester
SpectraBase Compound ID HbNPCAQkfll
InChI InChI=1S/C23H27NO3S2/c25-21(19-3-1-7-28-19)24(5-6-27-22(26)20-4-2-8-29-20)15-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,7-8,16-18H,5-6,9-15H2/t16-,17+,18-,23-
InChIKey MSWHZOYUMQATLA-BRGRSMLUSA-N
Mol Weight 429.59 g/mol
Molecular Formula C23H27NO3S2
Exact Mass 429.143236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AD0S9E45jZE
Name 2-Thiophenecarboxylic acid, 2-[(2-thienylcarbonyl)(tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl)amino]ethyl ester
Alternate Name(s) 2-[N-(adamantan-1-ylmethyl)-1-thiophen-2-ylformamido]ethyl thiophene-2-carboxylate 2-Thiophenecarboxylic acid 2-[1-adamantylmethyl-[oxo(thiophen-2-yl)methyl]amino]ethyl ester 2-[1-adamantylmethyl(thiophene-2-carbonyl)amino]ethyl thiophene-2-carboxylate 2-[1-adamantylmethyl(thiophen-2-ylcarbonyl)amino]ethyl thiophene-2-carboxylate
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Formula C23H27NO3S2
InChI InChI=1S/C23H27NO3S2/c25-21(19-3-1-7-28-19)24(5-6-27-22(26)20-4-2-8-29-20)15-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,7-8,16-18H,5-6,9-15H2/t16-,17+,18-,23-
InChIKey MSWHZOYUMQATLA-BRGRSMLUSA-N
Molecular Weight 429.593 g/mol
SMILES C(N(CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CCOC(c1sccc1)=O)(c1sccc1)=O
SPLASH splash10-03di-5931000000-7a22845f70862fa3f28e
Source of Spectrum IY-2-5057-6
Wiley ID 1658559