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3a-deuterio-8bH-benzothiopheno[2,3-c]furan-1,1,3,3-tetracarbonitrile
SpectraBase Compound ID EK1K1Ph69C
InChI InChI=1S/C14H6N4OS/c15-5-13(6-16)11-9-3-1-2-4-10(9)20-12(11)14(7-17,8-18)19-13/h1-4,11-12H/i12D
InChIKey AGSNCUYISKMCQC-UQBWLURTSA-N
Mol Weight 279.3 g/mol
Molecular Formula C14H52DN4OS
Exact Mass 279.032509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xOH8O3niLY
Name 3a-deuterio-8bH-benzothiopheno[2,3-c]furan-1,1,3,3-tetracarbonitrile
Alternate Name(s) 3a-deuterio-8bH-[1]benzothiolo[2,3-c]furan-1,1,3,3-tetracarbonitrile
CAS Registry Number 57113-40-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H5DN4OS
InChI InChI=1S/C14H6N4OS/c15-5-13(6-16)11-9-3-1-2-4-10(9)20-12(11)14(7-17,8-18)19-13/h1-4,11-12H/i12D
InChIKey AGSNCUYISKMCQC-UQBWLURTSA-N
Molecular Weight 279.295 g/mol
SMILES C1(C2(C(c3ccccc3S2)C(O1)(C#N)C#N)[2D])(C#N)C#N
SPLASH splash10-0fdk-4920000000-501bf52c6d1344033541
Source of Spectrum SB-29-448-0
Wiley ID 1281691