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2-[(Bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, methyl ester
SpectraBase Compound ID Lg3Qq7n5QF1
InChI InChI=1S/C22H31NO3S/c1-22(2,3)14-7-8-15-17(11-14)27-20(18(15)21(25)26-4)23-19(24)16-10-12-5-6-13(16)9-12/h12-14,16H,5-11H2,1-4H3,(H,23,24)
InChIKey BZALCZFYPHRMAQ-UHFFFAOYSA-N
Mol Weight 389.55 g/mol
Molecular Formula C22H31NO3S
Exact Mass 389.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBaWD84B9Gu
Name 2-[(Bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, methyl ester
Alternate Name(s) 2-[[3-bicyclo[2.2.1]heptanyl(oxo)methyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester 6-tert-Butyl-2-(norbornane-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Methyl 2-(3-bicyclo[2.2.1]heptanylcarbonylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-(bicyclo[2.2.1]heptane-3-carbonylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 6-tert-butyl-2-(norbornane-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
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Formula C22H31NO3S
InChI InChI=1S/C22H31NO3S/c1-22(2,3)14-7-8-15-17(11-14)27-20(18(15)21(25)26-4)23-19(24)16-10-12-5-6-13(16)9-12/h12-14,16H,5-11H2,1-4H3,(H,23,24)
InChIKey BZALCZFYPHRMAQ-UHFFFAOYSA-N
Molecular Weight 389.554 g/mol
SMILES N(C(C1CC2CCC1C2)=O)c1sc2c(c1C(=O)OC)CCC(C2)C(C)(C)C
SPLASH splash10-014i-9341000000-ebbd383f3507e3ada713
Source of Spectrum AD-0-2532-0
Wiley ID 1430105