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Heptabenzo[b,e,h,k,n,q,t][1,4,7,10,13,16,19]heptaoxacycloheneicosin

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Heptabenzo[b,e,h,k,n,q,t][1,4,7,10,13,16,19]heptaoxacycloheneicosin
SpectraBase Compound ID 65FroUFvviU
InChI InChI=1S/C42H28O7/c1-2-16-30-29(15-1)43-31-17-3-4-18-32(31)45-35-21-7-8-22-36(35)47-39-25-11-12-26-40(39)49-42-28-14-13-27-41(42)48-38-24-10-9-23-37(38)46-34-20-6-5-19-33(34)44-30/h1-28H
InChIKey GWBLWCVJARBIBY-UHFFFAOYSA-N
Mol Weight 644.7 g/mol
Molecular Formula C42H28O7
Exact Mass 644.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbAcp6SqIjN
Name Heptabenzo[B,E,H,K,N,Q,T][1,4,7,10,13,16,19]heptaoxacycloheneicosin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 644.183503235 u
Formula C42H28O7
InChI InChI=1S/C42H28O7/c1-2-16-30-29(15-1)43-31-17-3-4-18-32(31)45-35-21-7-8-22-36(35)47-39-25-11-12-26-40(39)49-42-28-14-13-27-41(42)48-38-24-10-9-23-37(38)46-34-20-6-5-19-33(34)44-30/h1-28H
InChIKey GWBLWCVJARBIBY-UHFFFAOYSA-N
Molecular Weight 644.679 g/mol
SMILES C=12OC=3C(OC=4C(OC=5C(OC6=CC=CC=C6OC=6C(OC=7C(OC2=CC=CC1)=CC=CC7)=CC=CC6)=CC=CC5)=CC=CC4)=CC=CC3