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N-(3-Cyano-4,5,6,7-tetrahydro-2-benzo[b]thienyl)undecafluorocyclohexanecarboxamide
SpectraBase Compound ID CyDXGrrAj12
InChI InChI=1S/C16H9F11N2OS/c17-11(10(30)29-9-7(5-28)6-3-1-2-4-8(6)31-9)12(18,19)14(22,23)16(26,27)15(24,25)13(11,20)21/h1-4H2,(H,29,30)
InChIKey WEUUYIJXVQRZBM-UHFFFAOYSA-N
Mol Weight 486.3 g/mol
Molecular Formula C16H9F11N2OS
Exact Mass 486.025994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18A0BvNWCn5
Name N-(3-CYANO-4,5,6,7-TETRAHYDRO-2-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H9F11N2OS
InChI InChI=1S/C16H9F11N2OS/c17-11(10(30)29-9-7(5-28)6-3-1-2-4-8(6)31-9)12(18,19)14(22,23)16(26,27)15(24,25)13(11,20)21/h1-4H2,(H,29,30)
InChIKey WEUUYIJXVQRZBM-UHFFFAOYSA-N
Molecular Weight 486.0258
SMILES N(C(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)=O)c1sc2CCCCc2c1C#N
SPLASH splash10-014u-9800100000-d702583da91824371c67
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany