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2-[(Phenylsulfonyl)amino]-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate

View entire compound with spectra: 2 NMR

2-[(Phenylsulfonyl)amino]-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate
SpectraBase Compound ID HLVVcHmfvac
InChI InChI=1S/C21H21NO8S3/c23-31(24,19-10-4-1-5-11-19)22-18(16-29-32(25,26)20-12-6-2-7-13-20)17-30-33(27,28)21-14-8-3-9-15-21/h1-15,18,22H,16-17H2
InChIKey SYNJJJOGLZPAOE-UHFFFAOYSA-N
Mol Weight 511.58 g/mol
Molecular Formula C21H21NO8S3
Exact Mass 511.04293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GK62ht1tNer
Name 2-[(Phenylsulfonyl)amino]-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 511.042930154 u
Formula C21H21NO8S3
InChI InChI=1S/C21H21NO8S3/c23-31(24,19-10-4-1-5-11-19)22-18(16-29-32(25,26)20-12-6-2-7-13-20)17-30-33(27,28)21-14-8-3-9-15-21/h1-15,18,22H,16-17H2
InChIKey SYNJJJOGLZPAOE-UHFFFAOYSA-N
Molecular Weight 511.578 g/mol
SMILES N(S(=O)(=O)C=1C=CC=CC1)C(COS(=O)(=O)C1=CC=CC=C1)COS(=O)(=O)C1=CC=CC=C1