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N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-nitrobenzamide
SpectraBase Compound ID KXzn4TtTfh2
InChI InChI=1S/C16H13N3O3S/c17-9-13-12-3-1-2-4-14(12)23-16(13)18-15(20)10-5-7-11(8-6-10)19(21)22/h5-8H,1-4H2,(H,18,20)
InChIKey DBPXHLRHLJGVLN-UHFFFAOYSA-N
Mol Weight 327.36 g/mol
Molecular Formula C16H13N3O3S
Exact Mass 327.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Cv8wjg1XGa
Name N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-nitrobenzamide
Alternate Name(s) Benzamide, 4-nitro-N-(4,5,6,7-tetrahydro-3-cyanobenzothien-2-yl)- N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-benzamide N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-nitro-benzamide
CAS Registry Number 297763-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O3S
InChI InChI=1S/C16H13N3O3S/c17-9-13-12-3-1-2-4-14(12)23-16(13)18-15(20)10-5-7-11(8-6-10)19(21)22/h5-8H,1-4H2,(H,18,20)
InChIKey DBPXHLRHLJGVLN-UHFFFAOYSA-N
Molecular Weight 327.358 g/mol
SMILES N(c1c(c2CCCCc2s1)C#N)C(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0udi-9800000000-7cf93f180160bd5eab57
Source of Spectrum AD-0-2532-0
Wiley ID 1420256