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8,9-bis(N-cyclohexylcarbamoyloxymethyl)-[6]paracyclophane
SpectraBase Compound ID GHKEWXhT5vH
InChI InChI=1S/C28H42N2O4/c31-27(29-23-13-7-3-8-14-23)33-19-25-21-11-5-1-2-6-12-22(18-17-21)26(25)20-34-28(32)30-24-15-9-4-10-16-24/h17-18,23-24H,1-16,19-20H2,(H,29,31)(H,30,32)
InChIKey QDRRBHBZQVCTDU-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C28H42N2O4
Exact Mass 470.314458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPfyuesv6lQ
Name 8,9-bis(N-cyclohexylcarbamoyloxymethyl)-[6]paracyclophane
CAS Registry Number 133947-57-6
Comments Less than 3 mono-isotopic peaks
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Formula C28H42N2O4
InChI InChI=1S/C28H42N2O4/c31-27(29-23-13-7-3-8-14-23)33-19-25-21-11-5-1-2-6-12-22(18-17-21)26(25)20-34-28(32)30-24-15-9-4-10-16-24/h17-18,23-24H,1-16,19-20H2,(H,29,31)(H,30,32)
InChIKey QDRRBHBZQVCTDU-UHFFFAOYSA-N
Molecular Weight 470.654 g/mol
SMILES N(C(OCc1c(COC(NC2CCCCC2)=O)c2CCCCCCc1cc2)=O)C1CCCCC1
SPLASH splash10-0udi-0090000000-bd5087abf5c652dab3d7
Source of Spectrum K-124-1834-1
Synonyms [10-({[(cyclohexylamino)carbonyl]oxy}methyl)bicyclo[6.2.2]dodeca-1(10),8,11-trien-9-yl]methyl cyclohexylcarbamate
Wiley ID 1392907