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acetamide, 2-[[(4-bromophenyl)sulfonyl](phenylmethyl)amino]-N-(2-methoxyethyl)-
SpectraBase Compound ID 5M6Ymd0nkQA
InChI InChI=1S/C18H21BrN2O4S/c1-25-12-11-20-18(22)14-21(13-15-5-3-2-4-6-15)26(23,24)17-9-7-16(19)8-10-17/h2-10H,11-14H2,1H3,(H,20,22)
InChIKey XWWCRFGDWAQUPY-UHFFFAOYSA-N
Mol Weight 441.34 g/mol
Molecular Formula C18H21BrN2O4S
Exact Mass 440.040541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80hVXcZmexp
Name Acetamide, 2-[[(4-bromophenyl)sulfonyl](phenylmethyl)amino]-N-(2-methoxyethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 440.040541334 u
Formula C18H21BrN2O4S
InChI InChI=1S/C18H21BrN2O4S/c1-25-12-11-20-18(22)14-21(13-15-5-3-2-4-6-15)26(23,24)17-9-7-16(19)8-10-17/h2-10H,11-14H2,1H3,(H,20,22)
InChIKey XWWCRFGDWAQUPY-UHFFFAOYSA-N
Molecular Weight 441.340 g/mol
SMILES N(C(CN(S(C1=CC=C(C=C1)Br)(=O)=O)CC=1C=CC=CC1)=O)CCOC