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N,N'-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyleneamino)butanediamide
SpectraBase Compound ID FKLRDBgYQYu
InChI InChI=1S/C34H46N4O12/c39-33(37-35-25-27-1-3-29-31(23-27)49-21-17-45-13-9-41-7-11-43-15-19-47-29)5-6-34(40)38-36-26-28-2-4-30-32(24-28)50-22-18-46-14-10-42-8-12-44-16-20-48-30/h1-4,23-26H,5-22H2,(H,37,39)(H,38,40)
InChIKey QHGHRIHXUUJMRV-UHFFFAOYSA-N
Mol Weight 702.8 g/mol
Molecular Formula C34H46N4O12
Exact Mass 702.311223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsTHoCaIrpx
Name N,N'-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyleneamino)butanediamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46N4O12
InChI InChI=1S/C34H46N4O12/c39-33(37-35-25-27-1-3-29-31(23-27)49-21-17-45-13-9-41-7-11-43-15-19-47-29)5-6-34(40)38-36-26-28-2-4-30-32(24-28)50-22-18-46-14-10-42-8-12-44-16-20-48-30/h1-4,23-26H,5-22H2,(H,37,39)(H,38,40)
InChIKey QHGHRIHXUUJMRV-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 710
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19990315)13_5_449
Molecular Weight 702.758 g/mol
SMILES N(N=Cc1cc2c(cc1)OCCOCCOCCOCCO2)C(CCC(=O)NN=Cc1ccc2c(OCCOCCOCCOCCO2)c1)=O
SPLASH splash10-03fr-0902000000-f2a0cd4f8ecbfa2e6e81
Source of Spectrum RCM-13-449-3
Wiley ID 1836239