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5-Amino-4-keto-3-[3-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester
SpectraBase Compound ID HSf3a7JCECs
InChI InChI=1S/C16H12F3N3O3S/c1-2-25-15(24)12-10-7-26-13(20)11(10)14(23)22(21-12)9-5-3-4-8(6-9)16(17,18)19/h3-7H,2,20H2,1H3
InChIKey XUATXCIYBLCUER-UHFFFAOYSA-N
Mol Weight 383.35 g/mol
Molecular Formula C16H12F3N3O3S
Exact Mass 383.055147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Mp3YgYXdHR
Name 5-Amino-4-keto-3-[3-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F3N3O3S
InChI InChI=1S/C16H12F3N3O3S/c1-2-25-15(24)12-10-7-26-13(20)11(10)14(23)22(21-12)9-5-3-4-8(6-9)16(17,18)19/h3-7H,2,20H2,1H3
InChIKey XUATXCIYBLCUER-UHFFFAOYSA-N
Molecular Weight 383.345 g/mol
SMILES Nc1c2c(C(C(=O)OCC)=NN(C2=O)c2cc(C(F)(F)F)ccc2)cs1
SPLASH splash10-001j-6925000000-429266374c0f8a6bbdfb
Synonyms 5-Amino-4-oxo-3-[3-(trifluoromethyl)phenyl]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester Ethyl 5-amino-4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate Ethyl 5-amino-4-oxo-3-[3-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate Ethyl 5-azanyl-4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate
Wiley ID 1442934