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Hexabenzo[b,e,h,k,n,q][1,4,7,10,13,16]hexaoxacyclooctadecin

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Hexabenzo[b,e,h,k,n,q][1,4,7,10,13,16]hexaoxacyclooctadecin
SpectraBase Compound ID ACUvGUNFYIP
InChI InChI=1S/C36H24O6/c1-2-14-26-25(13-1)37-27-15-3-4-16-28(27)39-31-19-7-8-20-32(31)41-35-23-11-12-24-36(35)42-34-22-10-9-21-33(34)40-30-18-6-5-17-29(30)38-26/h1-24H
InChIKey HVCOMEXAJIGHDC-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C36H24O6
Exact Mass 552.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jNiaaTr7Ar
Name Hexabenzo[B,E,H,K,N,Q][1,4,7,10,13,16]hexaoxacyclooctadecin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.157288487 u
Formula C36H24O6
InChI InChI=1S/C36H24O6/c1-2-14-26-25(13-1)37-27-15-3-4-16-28(27)39-31-19-7-8-20-32(31)41-35-23-11-12-24-36(35)42-34-22-10-9-21-33(34)40-30-18-6-5-17-29(30)38-26/h1-24H
InChIKey HVCOMEXAJIGHDC-UHFFFAOYSA-N
Molecular Weight 552.582 g/mol
SMILES C=12OC=3C(OC=4C(OC=5C(OC=6C(OC=7C(OC2=CC=CC1)=CC=CC7)=CC=CC6)=CC=CC5)=CC=CC4)=CC=CC3