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N-[7-[(4-bromophenyl)-hydroxy-methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide
SpectraBase Compound ID 44n7FlS7kjb
InChI InChI=1S/C20H16BrNO4S/c21-13-5-3-12(4-6-13)19(23)14-10-16-17(26-8-7-25-16)11-15(14)22-20(24)18-2-1-9-27-18/h1-6,9-11,19,23H,7-8H2,(H,22,24)
InChIKey RDOQEAUOLCMCAN-UHFFFAOYSA-N
Mol Weight 446.32 g/mol
Molecular Formula C20H16BrNO4S
Exact Mass 444.998342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYOsaHRBq4h
Name N-[7-[(4-bromophenyl)-hydroxy-methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide
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Formula C20H16BrNO4S
InChI InChI=1S/C20H16BrNO4S/c21-13-5-3-12(4-6-13)19(23)14-10-16-17(26-8-7-25-16)11-15(14)22-20(24)18-2-1-9-27-18/h1-6,9-11,19,23H,7-8H2,(H,22,24)
InChIKey RDOQEAUOLCMCAN-UHFFFAOYSA-N
Molecular Weight 446.315 g/mol
SMILES N(C(c1sccc1)=O)c1c(C(c2ccc(Br)cc2)O)cc2c(c1)OCCO2
SPLASH splash10-03xr-2935000000-6afa5b021fe2668a17b7
Synonyms N-[7-[(4-bromophenyl)-hydroxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-thiophenecarboxamide N-[7-[(4-bromophenyl)-oxidanyl-methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide
Wiley ID 1512435