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1,11-bis[5-(benzyloxycarbonyl)-2,4-dimethylpyrrol-3-yl]undecane
SpectraBase Compound ID E4SmDiM4bks
InChI InChI=1S/C39H50N2O4/c1-28-34(30(3)40-36(28)38(42)44-26-32-20-14-12-15-21-32)24-18-10-8-6-5-7-9-11-19-25-35-29(2)37(41-31(35)4)39(43)45-27-33-22-16-13-17-23-33/h12-17,20-23,40-41H,5-11,18-19,24-27H2,1-4H3
InChIKey GRSFGLMLHKTIIO-UHFFFAOYSA-N
Mol Weight 610.8 g/mol
Molecular Formula C39H50N2O4
Exact Mass 610.377058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kLaRpXZTrq
Name 1,11-bis[5-(benzyloxycarbonyl)-2,4-dimethylpyrrol-3-yl]undecane
Alternate Name(s) benzyl 4-(11-{5-[(benzyloxy)carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl}undecyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Registry Number 87280-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H50N2O4
InChI InChI=1S/C39H50N2O4/c1-28-34(30(3)40-36(28)38(42)44-26-32-20-14-12-15-21-32)24-18-10-8-6-5-7-9-11-19-25-35-29(2)37(41-31(35)4)39(43)45-27-33-22-16-13-17-23-33/h12-17,20-23,40-41H,5-11,18-19,24-27H2,1-4H3
InChIKey GRSFGLMLHKTIIO-UHFFFAOYSA-N
Molecular Weight 610.839 g/mol
SMILES [nH]1c(c(CCCCCCCCCCCc2c([nH]c(c2C)C(OCc2ccccc2)=O)C)c(c1C(OCc1ccccc1)=O)C)C
SPLASH splash10-0006-9110015000-13c22b1aca7db9793bf9
Source of Spectrum J-53-1349-10
Wiley ID 1410945