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4,5-Bis(3',4'-dinonyloxyphenyl)benzo[15]crown-5
SpectraBase Compound ID AnmxSolis9d
InChI InChI=1S/C62H100O9/c1-5-9-13-17-21-25-29-37-66-57-35-33-53(49-59(57)68-39-31-27-23-19-15-11-7-3)55-51-61-62(71-48-46-65-44-42-63-41-43-64-45-47-70-61)52-56(55)54-34-36-58(67-38-30-26-22-18-14-10-6-2)60(50-54)69-40-32-28-24-20-16-12-8-4/h33-36,49-52H,5-32,37-48H2,1-4H3
InChIKey NWXWRVZJRILIBZ-UHFFFAOYSA-N
Mol Weight 989.5 g/mol
Molecular Formula C62H100O9
Exact Mass 988.736735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDeGKhHDEZt
Name 4,5-Bis(3',4'-dinonyloxyphenyl)benzo[15]crown-5
Alternate Name(s) 15,16-bis[3,4-bis(nonyloxy)phenyl]-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C62H100O9
InChI InChI=1S/C62H100O9/c1-5-9-13-17-21-25-29-37-66-57-35-33-53(49-59(57)68-39-31-27-23-19-15-11-7-3)55-51-61-62(71-48-46-65-44-42-63-41-43-64-45-47-70-61)52-56(55)54-34-36-58(67-38-30-26-22-18-14-10-6-2)60(50-54)69-40-32-28-24-20-16-12-8-4/h33-36,49-52H,5-32,37-48H2,1-4H3
InChIKey NWXWRVZJRILIBZ-UHFFFAOYSA-N
Molecular Weight 989.473 g/mol
SMILES c1(c(cc2c(c1)OCCOCCOCCOCCO2)-c1cc(OCCCCCCCCC)c(cc1)OCCCCCCCCC)-c1cc(OCCCCCCCCC)c(cc1)OCCCCCCCCC
SPLASH splash10-000f-0000000009-98551e8643a04cd7c87d
Source of Spectrum QE-20-1033-5
Wiley ID 1586609