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1-Aza-[14]-orthocyclophane-2,14-dione

View entire compound with spectra: 1 MS (GC)

1-Aza-[14]-orthocyclophane-2,14-dione
SpectraBase Compound ID 5bhwD73vWGU
InChI InChI=1S/C19H27NO2/c21-18-14-8-6-4-2-1-3-5-7-9-15-19(22)20-17-13-11-10-12-16(17)18/h10-13H,1-9,14-15H2,(H,20,22)
InChIKey JSFAVLZGPVYKCC-UHFFFAOYSA-N
Mol Weight 301.43 g/mol
Molecular Formula C19H27NO2
Exact Mass 301.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ziFFoSxm3w
Name 1-Aza-[14]-orthocyclophane-2,14-dione
Alternate Name(s) 2-Azabicyclo[14.4.0]icosa-1(16),17,19-triene-3,15-dione 4,5,6,7,8,9,10,11,12,13-decahydro-1-benzazacyclohexadecine-2,14(1H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO2
InChI InChI=1S/C19H27NO2/c21-18-14-8-6-4-2-1-3-5-7-9-15-19(22)20-17-13-11-10-12-16(17)18/h10-13H,1-9,14-15H2,(H,20,22)
InChIKey JSFAVLZGPVYKCC-UHFFFAOYSA-N
Molecular Weight 301.430 g/mol
SMILES N1C(CCCCCCCCCCCC(c2c1cccc2)=O)=O
SPLASH splash10-0079-2902000000-a5501d35d7a49f569f66
Source of Spectrum H-83-1820-13
Wiley ID 847269