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(2R,5R)-2-(5'-Benzyloxypentyl)-5-butyl-1-(t-butyloxycarbonyl)-3-pyrroline
SpectraBase Compound ID KYdfrW3hkhi
InChI InChI=1S/C25H39NO3/c1-5-6-15-22-17-18-23(26(22)24(27)29-25(2,3)4)16-11-8-12-19-28-20-21-13-9-7-10-14-21/h7,9-10,13-14,17-18,22-23H,5-6,8,11-12,15-16,19-20H2,1-4H3/t22-,23-/m1/s1
InChIKey WMLZCUBMDSYOIQ-DHIUTWEWSA-N
Mol Weight 401.6 g/mol
Molecular Formula C25H39NO3
Exact Mass 401.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1La9IONcyeC
Name (2R,5R)-2-(5'-Benzyloxypentyl)-5-butyl-1-(t-butyloxycarbonyl)-3-pyrroline
Alternate Name(s) 2-(5'-Benzyloxypentyl)-5-butyl-1-(t-butyloxycarbonyl)-3-pyrroline tert-Butyl (2R,5R)-2-[5-(benzyloxy)pentyl]-5-butyl-2,5-dihydro-1H-pyrrole-1-carboxylate
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Formula C25H39NO3
InChI InChI=1S/C25H39NO3/c1-5-6-15-22-17-18-23(26(22)24(27)29-25(2,3)4)16-11-8-12-19-28-20-21-13-9-7-10-14-21/h7,9-10,13-14,17-18,22-23H,5-6,8,11-12,15-16,19-20H2,1-4H3/t22-,23-/m1/s1
InChIKey WMLZCUBMDSYOIQ-DHIUTWEWSA-N
Molecular Weight 401.591 g/mol
SMILES C(N1[C@@](C=C[C@]1(CCCC)[H])(CCCCCOCc1ccccc1)[H])(OC(C)(C)C)=O
SPLASH splash10-0a4l-9100000000-80cc6fa8a46a40fb9475
Source of Spectrum U-1995-973-12
Wiley ID 766827