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N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-[[[(2E)-3,7-dimethylocta-2,6-dienyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]carbamic acid tert-butyl ester
SpectraBase Compound ID IkyFyFkYWxF
InChI InChI=1S/C36H61N3O6/c1-26(2)18-16-20-28(5)22-24-38(32(41)44-35(10,11)12)30(37-31(40)43-34(7,8)9)39(33(42)45-36(13,14)15)25-23-29(6)21-17-19-27(3)4/h18-19,22-23H,16-17,20-21,24-25H2,1-15H3/b28-22+,29-23+
InChIKey ZDTKCDOXQHCBPS-UFSUQUSASA-N
Mol Weight 631.9 g/mol
Molecular Formula C36H61N3O6
Exact Mass 631.456037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GB1p3WafBfI
Name N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-[[[(2E)-3,7-dimethylocta-2,6-dienyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]carbamic acid tert-butyl ester
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Formula C36H61N3O6
InChI InChI=1S/C36H61N3O6/c1-26(2)18-16-20-28(5)22-24-38(32(41)44-35(10,11)12)30(37-31(40)43-34(7,8)9)39(33(42)45-36(13,14)15)25-23-29(6)21-17-19-27(3)4/h18-19,22-23H,16-17,20-21,24-25H2,1-15H3/b28-22+,29-23+
InChIKey ZDTKCDOXQHCBPS-UFSUQUSASA-N
Molecular Weight 631.899 g/mol
SMILES C(N(C(OC(C)(C)C)=O)C\C=C\(CCC=C(C)C)C)(N(C(OC(C)(C)C)=O)C\C=C\(CCC=C(C)C)C)=NC(OC(C)(C)C)=O
SPLASH splash10-0bt9-9057020000-3d8ed2e59a2b9fae7bc1
Source of Spectrum F-68-2308-9
Synonyms N-[N,N'-bis(tert-butoxycarbonyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]amidino]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamic acid tert-butyl ester tert-Butyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-[N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate tert-Butyl N-[N,N'-bis(tert-butoxycarbonyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamimidoyl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
Wiley ID 1572050