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7H-Thieno[3,2-b]pyran-3-carboxylic acid, 5-amino-6-cyano-2-methyl-7-[4-(trifluoromethyl)phenyl]-, methyl ester
SpectraBase Compound ID 64MBgXpbI45
InChI InChI=1S/C18H13F3N2O3S/c1-8-12(17(24)25-2)14-15(27-8)13(11(7-22)16(23)26-14)9-3-5-10(6-4-9)18(19,20)21/h3-6,13H,23H2,1-2H3
InChIKey WBQDNTZKWHRCKC-UHFFFAOYSA-N
Mol Weight 394.37 g/mol
Molecular Formula C18H13F3N2O3S
Exact Mass 394.059898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdskDPTABg3
Name 7H-Thieno[3,2-b]pyran-3-carboxylic acid, 5-amino-6-cyano-2-methyl-7-[4-(trifluoromethyl)phenyl]-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F3N2O3S
InChI InChI=1S/C18H13F3N2O3S/c1-8-12(17(24)25-2)14-15(27-8)13(11(7-22)16(23)26-14)9-3-5-10(6-4-9)18(19,20)21/h3-6,13H,23H2,1-2H3
InChIKey WBQDNTZKWHRCKC-UHFFFAOYSA-N
Molecular Weight 394.368 g/mol
SMILES NC=1Oc2c(c(sc2C(C1C#N)c1ccc(cc1)C(F)(F)F)C)C(=O)OC
SPLASH splash10-0002-2292000000-ff15c6f489603caa094a
Source of Spectrum IY-1-4497-8
Synonyms Methyl 5-amino-6-cyano-2-methyl-7-[4-(trifluoromethyl)phenyl]-7H-thieno[3,2-b]pyran-3-carboxylate Methyl 5-azanyl-6-cyano-2-methyl-7-[4-(trifluoromethyl)phenyl]-7H-thieno[3,2-b]pyran-3-carboxylate
Wiley ID 1652961