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3-([(E)-(5-Nitro-2-thienyl)methylidene]amino)benzonitrile
SpectraBase Compound ID Bx9xZleXQMp
InChI InChI=1S/C12H7N3O2S/c13-7-9-2-1-3-10(6-9)14-8-11-4-5-12(18-11)15(16)17/h1-6,8H/b14-8+
InChIKey AYQAFJSIDQJECR-RIYZIHGNSA-N
Mol Weight 257.27 g/mol
Molecular Formula C12H7N3O2S
Exact Mass 257.025898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InoDhgv3G86
Name 3-([(E)-(5-Nitro-2-thienyl)methylidene]amino)benzonitrile
Alternate Name(s) Benzonitrile, 3-(5-nitro-2-thenylidenamino)-
CAS Registry Number 303769-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7N3O2S
InChI InChI=1S/C12H7N3O2S/c13-7-9-2-1-3-10(6-9)14-8-11-4-5-12(18-11)15(16)17/h1-6,8H/b14-8+
InChIKey AYQAFJSIDQJECR-RIYZIHGNSA-N
Molecular Weight 257.267 g/mol
SMILES C(#N)c1cccc(c1)\N=C\c1ccc(s1)N(=O)=O
SPLASH splash10-0a4i-6980000000-b8188404fff62258879a
Wiley ID 1455935