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N,N'-bis(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-20-ylmethyleneamino)propanediamide
SpectraBase Compound ID 31JuMPgUjgK
InChI InChI=1S/C37H52N4O14/c42-36(40-38-28-30-1-3-32-34(25-30)54-23-19-50-15-11-46-7-5-44-9-13-48-17-21-52-32)27-37(43)41-39-29-31-2-4-33-35(26-31)55-24-20-51-16-12-47-8-6-45-10-14-49-18-22-53-33/h1-4,25-26,28-29H,5-24,27H2,(H,40,42)(H,41,43)
InChIKey JGICZENZGBFERA-UHFFFAOYSA-N
Mol Weight 776.8 g/mol
Molecular Formula C37H52N4O14
Exact Mass 776.348002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15nFVdRTOd
Name N,N'-bis(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-20-ylmethyleneamino)propanediamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H52N4O14
InChI InChI=1S/C37H52N4O14/c42-36(40-38-28-30-1-3-32-34(25-30)54-23-19-50-15-11-46-7-5-44-9-13-48-17-21-52-32)27-37(43)41-39-29-31-2-4-33-35(26-31)55-24-20-51-16-12-47-8-6-45-10-14-49-18-22-53-33/h1-4,25-26,28-29H,5-24,27H2,(H,40,42)(H,41,43)
InChIKey JGICZENZGBFERA-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 710
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19990315)13_5_449
Molecular Weight 776.837 g/mol
SMILES N(C(CC(=O)NN=Cc1cc2c(OCCOCCOCCOCCOCCO2)cc1)=O)N=Cc1cc2c(cc1)OCCOCCOCCOCCOCCO2
SPLASH splash10-004j-1911003000-8422c2f51d48e5c23b9f
Source of Spectrum RCM-13-449-10
Wiley ID 1836233