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tert-Butyl 4-[[N-Benzyl-N-(tert-butoxycarbonyl)methyl]amino]methyl]-3-tosyl-4-pentenoate
SpectraBase Compound ID KqoXFJnTMWt
InChI InChI=1S/C30H41NO6S/c1-22-14-16-25(17-15-22)38(34,35)26(18-27(32)36-29(3,4)5)23(2)19-31(20-24-12-10-9-11-13-24)21-28(33)37-30(6,7)8/h9-17,26H,2,18-21H2,1,3-8H3
InChIKey XNWRRXJJPLEYPM-UHFFFAOYSA-N
Mol Weight 543.7 g/mol
Molecular Formula C30H41NO6S
Exact Mass 543.265459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4o8eZmLGxNQ
Name tert-Butyl 4-[[N-Benzyl-N-(tert-butoxycarbonyl)methyl]amino]methyl]-3-tosyl-4-pentenoate
Alternate Name(s) tert-Butyl 4-{[benzyl(2-tert-butoxy-2-oxoethyl)amino]methyl}-3-[(4-methylphenyl)sulfonyl]-4-pentenoate
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Formula C30H41NO6S
InChI InChI=1S/C30H41NO6S/c1-22-14-16-25(17-15-22)38(34,35)26(18-27(32)36-29(3,4)5)23(2)19-31(20-24-12-10-9-11-13-24)21-28(33)37-30(6,7)8/h9-17,26H,2,18-21H2,1,3-8H3
InChIKey XNWRRXJJPLEYPM-UHFFFAOYSA-N
Molecular Weight 543.719 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(CN(CC(OC(C)(C)C)=O)Cc1ccccc1)=C)CC(OC(C)(C)C)=O
SPLASH splash10-0006-9001300000-dea4648aff65455bd3d2
Source of Spectrum J-61-5010-12
Wiley ID 1404951