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17,20-Diphenyldibenzo[c,l]5,8,11-trioxa-1,15-diazatricyclo[13.3.3.1(17,20)]docosan-22-one
SpectraBase Compound ID A6fufQRhMdF
InChI InChI=1S/C37H38N2O4/c40-37-31-25-39-24-30-16-8-10-18-34(30)43-22-20-41-19-21-42-33-17-9-7-15-29(33)23-38(35(31)27-11-3-1-4-12-27)26-32(37)36(39)28-13-5-2-6-14-28/h1-18,31-32,35-36H,19-26H2/t31-,32-,35-,36-/m1/s1
InChIKey BEDJJUZMLJAIDD-JPGNECAASA-N
Mol Weight 574.7 g/mol
Molecular Formula C37H38N2O4
Exact Mass 574.283158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IH5OGhMPUe
Name 17,20-Diphenyldibenzo[c,l]5,8,11-trioxa-1,15-diazatricyclo[13.3.3.1(17,20)]docosan-22-one
Alternate Name(s) 2,26-diphenyl-11,14,17-trioxa-3,25-diazapentacyclo[23.3.1.1(3,27).0(5,10).0(18,23)]triaconta-5,7,9,18,20,22-hexaen-28-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H38N2O4
InChI InChI=1S/C37H38N2O4/c40-37-31-25-39-24-30-16-8-10-18-34(30)43-22-20-41-19-21-42-33-17-9-7-15-29(33)23-38(35(31)27-11-3-1-4-12-27)26-32(37)36(39)28-13-5-2-6-14-28/h1-18,31-32,35-36H,19-26H2/t31-,32-,35-,36-/m1/s1
InChIKey BEDJJUZMLJAIDD-JPGNECAASA-N
Molecular Weight 574.721 g/mol
SMILES [C@@]12(C([C@]3([C@](N(C2)Cc2c(OCCOCCOc4c(CN([C@@]1(c1ccccc1)[H])C3)cccc4)cccc2)(c1ccccc1)[H])[H])=O)[H]
SPLASH splash10-0006-9000030000-9b8610b41745032e096f
Source of Spectrum F-51-4827-13
Wiley ID 791799