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2,3-[5-(2-Aminonaphtylazo)benzo]-1,4,7,10,13,16-hexaoxacyclooctadecen-2

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2,3-[5-(2-Aminonaphtylazo)benzo]-1,4,7,10,13,16-hexaoxacyclooctadecen-2
SpectraBase Compound ID BpM93lyfXOi
InChI InChI=1S/C26H31N3O6/c27-23-7-5-20-3-1-2-4-22(20)26(23)29-28-21-6-8-24-25(19-21)35-18-16-33-14-12-31-10-9-30-11-13-32-15-17-34-24/h1-8,19H,9-18,27H2/b29-28+
InChIKey TXUHUPJQQZQPEK-ZQHSETAFSA-N
Mol Weight 481.55 g/mol
Molecular Formula C26H31N3O6
Exact Mass 481.221286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACl1jrsuw14
Name 2,3-[5-(2-Aminonaphtylazo)benzo]-1,4,7,10,13,16-hexaoxacyclooctadecen-2
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.221285724 u
Formula C26H31N3O6
InChI InChI=1S/C26H31N3O6/c27-23-7-5-20-3-1-2-4-22(20)26(23)29-28-21-6-8-24-25(19-21)35-18-16-33-14-12-31-10-9-30-11-13-32-15-17-34-24/h1-8,19H,9-18,27H2/b29-28+
InChIKey TXUHUPJQQZQPEK-ZQHSETAFSA-N
Molecular Weight 481.549 g/mol
SMILES C1COCCOCCOC2=C(OCCOCCO1)C=CC(=C2)\N=N\C1=C(C=CC2=C1C=CC=C2)N