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4,19-Dioxa-1,3(1,4)-dibenzena-2(2,9)-1,10-phenanthrolina-cyclononadecaphane

View entire compound with spectra: 1 MS (GC)

4,19-Dioxa-1,3(1,4)-dibenzena-2(2,9)-1,10-phenanthrolina-cyclononadecaphane
SpectraBase Compound ID A0MzJdXaxMX
InChI InChI=1S/C38H42N2O2/c1-2-4-6-8-10-12-28-42-34-23-17-30(18-24-34)36-26-20-32-14-13-31-19-25-35(39-37(31)38(32)40-36)29-15-21-33(22-16-29)41-27-11-9-7-5-3-1/h13-26H,1-12,27-28H2
InChIKey VVPWKIYIGYIJPM-UHFFFAOYSA-N
Mol Weight 558.8 g/mol
Molecular Formula C38H42N2O2
Exact Mass 558.324629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCMDcrEfhLv
Name 4,19-Dioxa-1,3(1,4)-dibenzena-2(2,9)-1,10-phenanthrolina-cyclononadecaphane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42N2O2
InChI InChI=1S/C38H42N2O2/c1-2-4-6-8-10-12-28-42-34-23-17-30(18-24-34)36-26-20-32-14-13-31-19-25-35(39-37(31)38(32)40-36)29-15-21-33(22-16-29)41-27-11-9-7-5-3-1/h13-26H,1-12,27-28H2
InChIKey VVPWKIYIGYIJPM-UHFFFAOYSA-N
Molecular Weight 558.766 g/mol
SMILES c12nc3-c4ccc(OCCCCCCCCCCCCCCOc5ccc(-c6nc2c(ccc1cc3)cc6)cc5)cc4
SPLASH splash10-08fr-0009080000-418c7ca1aa476a313bbc
Source of Spectrum U1-2009-2333-4b
Wiley ID 1662892