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N-(1-adamantylmethyl)-3-benzamido-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinecarboxamide
SpectraBase Compound ID KOGKuVmEWGa
InChI InChI=1S/C29H33N3O3S/c1-17-8-22(15-35-2)23-24(32-26(33)21-6-4-3-5-7-21)25(36-28(23)31-17)27(34)30-16-29-12-18-9-19(13-29)11-20(10-18)14-29/h3-8,18-20H,9-16H2,1-2H3,(H,30,34)(H,32,33)/t18-,19+,20-,29-
InChIKey QHBQGTXQRJDFOO-MOTOHBSYSA-N
Mol Weight 503.7 g/mol
Molecular Formula C29H33N3O3S
Exact Mass 503.224263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1IsBuedr4i
Name N-(1-adamantylmethyl)-3-benzamido-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinecarboxamide
Alternate Name(s) N-(1-adamantylmethyl)-3-benzamido-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridine-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33N3O3S
InChI InChI=1S/C29H33N3O3S/c1-17-8-22(15-35-2)23-24(32-26(33)21-6-4-3-5-7-21)25(36-28(23)31-17)27(34)30-16-29-12-18-9-19(13-29)11-20(10-18)14-29/h3-8,18-20H,9-16H2,1-2H3,(H,30,34)(H,32,33)/t18-,19+,20-,29-
InChIKey QHBQGTXQRJDFOO-MOTOHBSYSA-N
Molecular Weight 503.661 g/mol
SMILES N(c1c(C(NCC23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)sc2nc(cc(c12)COC)C)C(=O)c1ccccc1
SPLASH splash10-052f-9302000000-51ccbe46fa126c2dc557
Wiley ID 1512547