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3,5-Octadiyne, 2,7-bis[t-butoxycarbonyl)amino]-1,8-diphenyl-
SpectraBase Compound ID 6aSCE5Dda1A
InChI InChI=1S/C30H36N2O4/c1-29(2,3)35-27(33)31-25(21-23-15-9-7-10-16-23)19-13-14-20-26(22-24-17-11-8-12-18-24)32-28(34)36-30(4,5)6/h7-12,15-18,25-26H,21-22H2,1-6H3,(H,31,33)(H,32,34)
InChIKey USOHPEAYPHFAKG-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C30H36N2O4
Exact Mass 488.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dSHv8edK1L
Name 3,5-Octadiyne, 2,7-bis[t-butoxycarbonyl)amino]-1,8-diphenyl-
Alternate Name(s) N-[1-benzyl-6-(tert-butoxycarbonylamino)-7-phenyl-hepta-2,4-diynyl]carbamic acid tert-butyl ester N-[7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,8-diphenylocta-3,5-diyn-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[1-benzyl-6-(tert-butoxycarbonylamino)-7-phenyl-hepta-2,4-diynyl]carbamate tert-Butyl N-[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-diphenyl-octa-3,5-diyn-2-yl]carbamate
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Formula C30H36N2O4
InChI InChI=1S/C30H36N2O4/c1-29(2,3)35-27(33)31-25(21-23-15-9-7-10-16-23)19-13-14-20-26(22-24-17-11-8-12-18-24)32-28(34)36-30(4,5)6/h7-12,15-18,25-26H,21-22H2,1-6H3,(H,31,33)(H,32,34)
InChIKey USOHPEAYPHFAKG-UHFFFAOYSA-N
Molecular Weight 488.628 g/mol
SMILES N(C(C#CC#CC(NC(OC(C)(C)C)=O)Cc1ccccc1)Cc1ccccc1)C(OC(C)(C)C)=O
SPLASH splash10-0a4l-9342000000-f2c78c2d8ca29931648a
Wiley ID 1490696