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N-(3-METHOXY-2-PYRAZINYL)-4-{3-[3,3,3-TRIFLUORO-1-(PENTAFLUOROETHYL)-2-
SpectraBase Compound ID Fr5JaRLz6sL
InChI InChI=1S/C18H12F11N5O3S2/c1-37-13-12(30-6-7-31-13)34-39(35,36)9-4-2-8(3-5-9)32-14(38)33-11(15(19,20)18(27,28)29)10(16(21,22)23)17(24,25)26/h2-7H,1H3,(H,30,34)(H2,32,33,38)
InChIKey ZTGIFHQWVOURTF-UHFFFAOYSA-N
Mol Weight 619.43 g/mol
Molecular Formula C18H12F11N5O3S2
Exact Mass 619.020591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVczBB1Vsf2
Name N-(3-METHOXY-2-PYRAZINYL)-4-{3-[3,3,3-TRIFLUORO-1-(PENTAFLUOROETHYL)-2-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H12F11N5O3S2
InChI InChI=1S/C18H12F11N5O3S2/c1-37-13-12(30-6-7-31-13)34-39(35,36)9-4-2-8(3-5-9)32-14(38)33-11(15(19,20)18(27,28)29)10(16(21,22)23)17(24,25)26/h2-7H,1H3,(H,30,34)(H2,32,33,38)
InChIKey ZTGIFHQWVOURTF-UHFFFAOYSA-N
Molecular Weight 619.0204
SMILES N(S(c1ccc(NC(=S)NC(C(C(F)(F)F)(F)F)=C(C(F)(F)F)C(F)(F)F)cc1)(=O)=O)c1nccnc1OC
SPLASH splash10-0a4m-9420000000-70aa16f81a45b2c05186
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany