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N,N'-Bis[2-[2-(methoxycarbonyl)-4-methyl-4-phenylpentyl]]sulfamide isomer
SpectraBase Compound ID IAs7G7bjEp9
InChI InChI=1S/C28H40N2O6S/c1-27(2,23-13-9-7-10-14-23)17-21(25(31)35-5)19-29-37(33,34)30-20-22(26(32)36-6)18-28(3,4)24-15-11-8-12-16-24/h7-16,21-22,29-30H,17-20H2,1-6H3
InChIKey DQSMHGBBJWMUGN-UHFFFAOYSA-N
Mol Weight 532.7 g/mol
Molecular Formula C28H40N2O6S
Exact Mass 532.260708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45ZLVNTqDCh
Name N,N'-Bis[2-[2-(methoxycarbonyl)-4-methyl-4-phenylpentyl]]sulfamide isomer
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Formula C28H40N2O6S
InChI InChI=1S/C28H40N2O6S/c1-27(2,23-13-9-7-10-14-23)17-21(25(31)35-5)19-29-37(33,34)30-20-22(26(32)36-6)18-28(3,4)24-15-11-8-12-16-24/h7-16,21-22,29-30H,17-20H2,1-6H3
InChIKey DQSMHGBBJWMUGN-UHFFFAOYSA-N
Molecular Weight 532.696 g/mol
SMILES N(S(NCC(C(=O)OC)CC(c1ccccc1)(C)C)(=O)=O)CC(C(=O)OC)CC(c1ccccc1)(C)C
SPLASH splash10-0100-0900300000-22116c8dcc1b833bd913
Source of Spectrum J-56-2036-14
Synonyms N,N'-Bis[2-[2-(methoxycarbonyl)-4-methyl-4-phenylpentyl]]sulfamide Methyl 2-{[({[2-(methoxycarbonyl)-4-methyl-4-phenylpentyl]amino}sulfonyl)amino]methyl}-4-methyl-4-phenylpentanoate
Wiley ID 1403590