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2-CHLORO-7-(TERT.-BUTYL)-4,7-DIHYDRO-4-OXOTHIENO-[2.3-B]-PYRIDINE-5-CARBOXYLATE
SpectraBase Compound ID IefHwxGnD55
InChI InChI=1S/C12H12ClNO3S/c1-12(2,3)14-5-7(11(16)17)9(15)6-4-8(13)18-10(6)14/h4-5H,1-3H3,(H,16,17)
InChIKey BMHMZYYSGXLHOZ-UHFFFAOYSA-N
Mol Weight 285.75 g/mol
Molecular Formula C12H12ClNO3S
Exact Mass 285.022642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2SkqTCVsXv
Name Thieno[2,3-b]pyridine-5-carboxylic acid, 2-chloro-7-t-butyl-4(7H)-oxo-
Alternate Name(s) 7-tert-Butyl-2-chloranyl-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylic acid 7-tert-Butyl-2-chloro-4-keto-thieno[2,3-b]pyridine-5-carboxylic acid 7-tert-Butyl-2-chloro-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid 7-tert-Butyl-2-chloro-4-oxo-5-thieno[2,3-b]pyridinecarboxylic acid 7-tert-Butyl-2-chloro-4-oxo-thieno[2,3-b]pyridine-5-carboxylic acid
CAS Registry Number 189002-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO3S
InChI InChI=1S/C12H12ClNO3S/c1-12(2,3)14-5-7(11(16)17)9(15)6-4-8(13)18-10(6)14/h4-5H,1-3H3,(H,16,17)
InChIKey BMHMZYYSGXLHOZ-UHFFFAOYSA-N
Molecular Weight 285.745 g/mol
SMILES OC(C=1C(c2c(N(C1)C(C)(C)C)sc(c2)Cl)=O)=O
SPLASH splash10-06ri-9870000000-cae9092121ea16b159f1
Wiley ID 1474260