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2-Chloro-6,7,9,10,12,13,15,16-octahydro-22H-dibenzo[b,q][1,4,7,10,13,16]-monoazapentaoxacyclooctadecin

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2-Chloro-6,7,9,10,12,13,15,16-octahydro-22H-dibenzo[b,q][1,4,7,10,13,16]-monoazapentaoxacyclooctadecin
SpectraBase Compound ID A4Btk86BrrC
InChI InChI=1S/C20H24ClNO5/c21-16-5-6-20-18(15-16)22-17-3-1-2-4-19(17)26-13-11-24-9-7-23-8-10-25-12-14-27-20/h1-6,15,22H,7-14H2
InChIKey INRTXQJWAITDBR-UHFFFAOYSA-N
Mol Weight 393.87 g/mol
Molecular Formula C20H24ClNO5
Exact Mass 393.134301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bHRXdC7vyQ
Name 2-Chloro-6,7,9,10,12,13,15,16-octahydro-22H-dibenzo[B,Q][1,4,7,10,13,16]-monoazapentaoxacyclooctadecin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.134300572 u
Formula C20H24ClNO5
InChI InChI=1S/C20H24ClNO5/c21-16-5-6-20-18(15-16)22-17-3-1-2-4-19(17)26-13-11-24-9-7-23-8-10-25-12-14-27-20/h1-6,15,22H,7-14H2
InChIKey INRTXQJWAITDBR-UHFFFAOYSA-N
Molecular Weight 393.867 g/mol
SMILES C1=2NC=3C(OCCOCCOCCOCCOC1=CC=C(C2)Cl)=CC=CC3