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1H-Pyrido[2,1-b]benzothiazol-1-one, 3-(diethylamino)-4-methyl-2-(trifluoroacetyl)-
SpectraBase Compound ID 1N4wWU0KI4R
InChI InChI=1S/C18H17F3N2O2S/c1-4-22(5-2)14-10(3)17-23(11-8-6-7-9-12(11)26-17)16(25)13(14)15(24)18(19,20)21/h6-9H,4-5H2,1-3H3
InChIKey PCMNUNMWWAIQAP-UHFFFAOYSA-N
Mol Weight 382.4 g/mol
Molecular Formula C18H17F3N2O2S
Exact Mass 382.096283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NtMON5Ja1J
Name 1H-Pyrido[2,1-b]benzothiazol-1-one, 3-(diethylamino)-4-methyl-2-(trifluoroacetyl)-
CAS Registry Number 100645-34-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F3N2O2S
InChI InChI=1S/C18H17F3N2O2S/c1-4-22(5-2)14-10(3)17-23(11-8-6-7-9-12(11)26-17)16(25)13(14)15(24)18(19,20)21/h6-9H,4-5H2,1-3H3
InChIKey PCMNUNMWWAIQAP-UHFFFAOYSA-N
Molecular Weight 382.401 g/mol
SMILES C1=2N(C(=O)C(=C(C2C)N(CC)CC)C(C(F)(F)F)=O)c2ccccc2S1
SPLASH splash10-03di-1019000000-adcb61e9e29aab410af6
Source of Spectrum K-118-4586-19
Synonyms 1-(diethylamino)-1-propin 3-(diethylamino)-4-methyl-2-(trifluoroacetyl)-1H-pyrido[2,1-b][1,3]benzothiazol-1-one
Wiley ID 1360419