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N-(4-iodophenyl)-4-(3-thietanyloxy)benzamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

N-(4-iodophenyl)-4-(3-thietanyloxy)benzamide
SpectraBase Compound ID H2aDyrYQgWW
InChI InChI=1S/C16H14INO2S/c17-12-3-5-13(6-4-12)18-16(19)11-1-7-14(8-2-11)20-15-9-21-10-15/h1-8,15H,9-10H2,(H,18,19)
InChIKey DKVWCDQOCQQKBX-UHFFFAOYSA-N
Mol Weight 411.26 g/mol
Molecular Formula C16H14INO2S
Exact Mass 410.978995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oMNieLW2G3
Name N-(4-iodo-phenyl)-4-(thietan-3-yloxy)-benzamide
Alternate Name(s) N-(4-iodophenyl)-4-(3-thietanyloxy)benzamide
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Formula C16H14INO2S
InChI InChI=1S/C16H14INO2S/c17-12-3-5-13(6-4-12)18-16(19)11-1-7-14(8-2-11)20-15-9-21-10-15/h1-8,15H,9-10H2,(H,18,19)
InChIKey DKVWCDQOCQQKBX-UHFFFAOYSA-N
Molecular Weight 411.257 g/mol
SMILES N(C(c1ccc(OC2CSC2)cc1)=O)c1ccc(cc1)I
SPLASH splash10-00di-9300100000-79eec984d23f16c9ac09
Wiley ID 1445491