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21,24-Diphenyldibenzo[e,n]4,7,10,13,16-pentaoxa-1,19-diazatricyclo[17.3.3.1(21,24)]hexacosan-26-one
SpectraBase Compound ID oDXdCHysI4
InChI InChI=1S/C39H42N2O6/c42-37-38(30-11-3-1-4-12-30)25-32-26-39(37,31-13-5-2-6-14-31)28-41(27-38)19-20-44-33-15-7-8-16-34(33)45-23-21-43-22-24-46-35-17-9-10-18-36(35)47-29-40-32/h1-18,32,40H,19-29H2/t32-,38+,39-
InChIKey WPYCUKZTXUPUQC-KSPGYGNVSA-N
Mol Weight 634.8 g/mol
Molecular Formula C39H42N2O6
Exact Mass 634.304287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzdfeWQFIht
Name 21,24-Diphenyldibenzo[e,n]4,7,10,13,16-pentaoxa-1,19-diazatricyclo[17.3.3.1(21,24)]hexacosan-26-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H42N2O6
InChI InChI=1S/C39H42N2O6/c42-37-38(30-11-3-1-4-12-30)25-32-26-39(37,31-13-5-2-6-14-31)28-41(27-38)19-20-44-33-15-7-8-16-34(33)45-23-21-43-22-24-46-35-17-9-10-18-36(35)47-29-40-32/h1-18,32,40H,19-29H2/t32-,38+,39-
InChIKey WPYCUKZTXUPUQC-KSPGYGNVSA-N
Molecular Weight 634.773 g/mol
SMILES N1COc2c(OCCOCCOc3c(OCCN4C[C@]5(C([C@](C[C@]1(C5)[H])(C4)c1ccccc1)=O)c1ccccc1)cccc3)cccc2
SPLASH splash10-0udi-0900000000-18cddab17dfeb1f57049
Source of Spectrum F-51-4824-7
Synonyms 1,31-diphenyl-6,13,16,19,26-pentaoxa-3,28-diazapentacyclo[27.3.1.1(3,31).0(7,12).0(20,25)]tetratriaconta-7,9,11,20,22,24-hexaen-32-one
Wiley ID 791807