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4-Nitro-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
SpectraBase Compound ID H1fL87EJKNk
InChI InChI=1S/C22H18N2O4S/c25-20(14-6-2-1-3-7-14)19-17-8-4-5-9-18(17)29-22(19)23-21(26)15-10-12-16(13-11-15)24(27)28/h1-3,6-7,10-13H,4-5,8-9H2,(H,23,26)
InChIKey FDKOBJYWDHAPNM-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C22H18N2O4S
Exact Mass 406.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XyAkRYJNMK
Name 4-Nitro-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
Alternate Name(s) N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-nitro-benzamide
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Formula C22H18N2O4S
InChI InChI=1S/C22H18N2O4S/c25-20(14-6-2-1-3-7-14)19-17-8-4-5-9-18(17)29-22(19)23-21(26)15-10-12-16(13-11-15)24(27)28/h1-3,6-7,10-13H,4-5,8-9H2,(H,23,26)
InChIKey FDKOBJYWDHAPNM-UHFFFAOYSA-N
Molecular Weight 406.456 g/mol
SMILES N(C(=O)c1ccc(cc1)N(=O)=O)c1sc2CCCCc2c1C(=O)c1ccccc1
SPLASH splash10-0kdl-9410000000-3c0f92b7dd51ef82f4d3
Wiley ID 1443416