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N,N'-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyleneamino)heptanediamide
SpectraBase Compound ID GXl9qzKxvkH
InChI InChI=1S/C37H52N4O12/c42-36(40-38-28-30-6-8-32-34(26-30)52-24-20-48-16-12-44-10-14-46-18-22-50-32)4-2-1-3-5-37(43)41-39-29-31-7-9-33-35(27-31)53-25-21-49-17-13-45-11-15-47-19-23-51-33/h6-9,26-29H,1-5,10-25H2,(H,40,42)(H,41,43)
InChIKey ZUPFKJRSOWQLIW-UHFFFAOYSA-N
Mol Weight 744.8 g/mol
Molecular Formula C37H52N4O12
Exact Mass 744.358173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIa4xBFaWXm
Name N,N'-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyleneamino)heptanediamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H52N4O12
InChI InChI=1S/C37H52N4O12/c42-36(40-38-28-30-6-8-32-34(26-30)52-24-20-48-16-12-44-10-14-46-18-22-50-32)4-2-1-3-5-37(43)41-39-29-31-7-9-33-35(27-31)53-25-21-49-17-13-45-11-15-47-19-23-51-33/h6-9,26-29H,1-5,10-25H2,(H,40,42)(H,41,43)
InChIKey ZUPFKJRSOWQLIW-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 710
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19990315)13_5_449
Molecular Weight 744.839 g/mol
SMILES N(N=Cc1ccc2c(OCCOCCOCCOCCO2)c1)C(CCCCCC(NN=Cc1cc2OCCOCCOCCOCCOc2cc1)=O)=O
SPLASH splash10-03di-0900000000-6d07e706fdd5ab63a05e
Source of Spectrum RCM-13-449-6
Wiley ID 1836243