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7,16-Bis[(5'-trifluoromethyl-2'-hydroxyphenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SpectraBase Compound ID 5FvYCrYe1km
InChI InChI=1S/C28H36F6N2O6/c29-27(30,31)23-1-3-25(37)21(17-23)19-35-5-9-39-13-15-41-11-7-36(8-12-42-16-14-40-10-6-35)20-22-18-24(28(32,33)34)2-4-26(22)38/h1-4,17-18,37-38H,5-16,19-20H2
InChIKey QRXYLMQXKZVMIP-UHFFFAOYSA-N
Mol Weight 610.6 g/mol
Molecular Formula C28H36F6N2O6
Exact Mass 610.247756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHQGD7QmQ9h
Name 7,16-Bis[(5'-trifluoromethyl-2'-hydroxyphenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Alternate Name(s) 2-({16-[2-hydroxy-5-(trifluoromethyl)benzyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}methyl)-4-(trifluoromethyl)phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36F6N2O6
InChI InChI=1S/C28H36F6N2O6/c29-27(30,31)23-1-3-25(37)21(17-23)19-35-5-9-39-13-15-41-11-7-36(8-12-42-16-14-40-10-6-35)20-22-18-24(28(32,33)34)2-4-26(22)38/h1-4,17-18,37-38H,5-16,19-20H2
InChIKey QRXYLMQXKZVMIP-UHFFFAOYSA-N
Molecular Weight 610.594 g/mol
SMILES Oc1ccc(cc1CN1CCOCCOCCN(Cc2cc(ccc2O)C(F)(F)F)CCOCCOCC1)C(F)(F)F
SPLASH splash10-056r-4924000000-b1b8e39ce7047e968aef
Source of Spectrum QC-23-689-6
Wiley ID 1583863