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1-Benzothiophene-2-carboxylic acid, 5-[(tricyclo[3.3.1.1(3,7)]dec-1-ylcarbonyl)amino]-, ethyl ester
SpectraBase Compound ID 4XOA8GItM7y
InChI InChI=1S/C22H25NO3S/c1-2-26-20(24)19-9-16-8-17(3-4-18(16)27-19)23-21(25)22-10-13-5-14(11-22)7-15(6-13)12-22/h3-4,8-9,13-15H,2,5-7,10-12H2,1H3,(H,23,25)/t13-,14+,15-,22-
InChIKey QJHMOVCIALWYHG-CNNQHEGBSA-N
Mol Weight 383.51 g/mol
Molecular Formula C22H25NO3S
Exact Mass 383.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZRH1bqrUkN
Name 1-Benzothiophene-2-carboxylic acid, 5-[(tricyclo[3.3.1.1(3,7)]dec-1-ylcarbonyl)amino]-, ethyl ester
Alternate Name(s) 5-[[1-adamantyl(oxo)methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester Ethyl 5-(adamantane-1-carbonylamino)-1-benzothiophene-2-carboxylate Ethyl 5-(adamantane-1-carbonylamino)benzothiophene-2-carboxylate Ethyl 5-(1-adamantylcarbonylamino)-1-benzothiophene-2-carboxylate
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Formula C22H25NO3S
InChI InChI=1S/C22H25NO3S/c1-2-26-20(24)19-9-16-8-17(3-4-18(16)27-19)23-21(25)22-10-13-5-14(11-22)7-15(6-13)12-22/h3-4,8-9,13-15H,2,5-7,10-12H2,1H3,(H,23,25)/t13-,14+,15-,22-
InChIKey QJHMOVCIALWYHG-CNNQHEGBSA-N
Molecular Weight 383.506 g/mol
SMILES N(C(C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O)c1ccc2c(c1)cc(s2)C(OCC)=O
SPLASH splash10-000i-3901000000-0ab8696d538b62819adb
Source of Spectrum IY-1-4372-6
Wiley ID 1651709