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1-Benzyl 4-Methyl 5-[(p-bromobenzenesulfonyl)amino]-2-[(t-butoxycaronyl)amino]-terephthalate
SpectraBase Compound ID 4c5vXxZEyvI
InChI InChI=1S/C27H27BrN2O8S/c1-27(2,3)38-26(33)29-22-14-21(24(31)36-4)23(30-39(34,35)19-12-10-18(28)11-13-19)15-20(22)25(32)37-16-17-8-6-5-7-9-17/h5-15,30H,16H2,1-4H3,(H,29,33)
InChIKey YJADRZNZXGRVAI-UHFFFAOYSA-N
Mol Weight 619.48 g/mol
Molecular Formula C27H27BrN2O8S
Exact Mass 618.06715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KE9Epm8wTvW
Name 1-Benzyl 4-Methyl 5-[(p-bromobenzenesulfonyl)amino]-2-[(t-butoxycaronyl)amino]-terephthalate
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Formula C27H27BrN2O8S
InChI InChI=1S/C27H27BrN2O8S/c1-27(2,3)38-26(33)29-22-14-21(24(31)36-4)23(30-39(34,35)19-12-10-18(28)11-13-19)15-20(22)25(32)37-16-17-8-6-5-7-9-17/h5-15,30H,16H2,1-4H3,(H,29,33)
InChIKey YJADRZNZXGRVAI-UHFFFAOYSA-N
Molecular Weight 619.483 g/mol
SMILES N(c1cc(c(cc1C(=O)OC)NC(OC(C)(C)C)=O)C(OCc1ccccc1)=O)S(c1ccc(cc1)Br)(=O)=O
SPLASH splash10-014i-0000095000-6ae6e16956901b80274e
Source of Spectrum QE-15-2204-8b
Wiley ID 1692688