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N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-iodobenzamide
SpectraBase Compound ID DXyfHcUMUZb
InChI InChI=1S/C16H13IN2OS/c17-11-5-3-4-10(8-11)15(20)19-16-13(9-18)12-6-1-2-7-14(12)21-16/h3-5,8H,1-2,6-7H2,(H,19,20)
InChIKey WUMKXGWUJHOLCG-UHFFFAOYSA-N
Mol Weight 408.26 g/mol
Molecular Formula C16H13IN2OS
Exact Mass 407.979329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8c44NL54e6k
Name N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-iodobenzamide
CAS Registry Number 313648-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13IN2OS
InChI InChI=1S/C16H13IN2OS/c17-11-5-3-4-10(8-11)15(20)19-16-13(9-18)12-6-1-2-7-14(12)21-16/h3-5,8H,1-2,6-7H2,(H,19,20)
InChIKey WUMKXGWUJHOLCG-UHFFFAOYSA-N
Molecular Weight 408.257 g/mol
SMILES N(c1c(c2CCCCc2s1)C#N)C(c1cc(I)ccc1)=O
SPLASH splash10-0fai-9340000000-ec76eb0dbadd1d1918f0
Source of Spectrum AD-0-2532-0
Synonyms Benzamide, 3-iodo-N-(4,5,6,7-tetrahydro-3-cyano-benzo[b]thiophen-2-yl)- N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodanyl-benzamide N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-iodo-benzamide
Wiley ID 1421261