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3,5-Bis(aza-18-crown-6)-1,7-azulenequinone

View entire compound with spectra: 1 MS (GC)

3,5-Bis(aza-18-crown-6)-1,7-azulenequinone
SpectraBase Compound ID 3zHp876TiTI
InChI InChI=1S/C34H52N2O12/c37-30-25-29(35-1-5-39-9-13-43-17-21-47-22-18-44-14-10-40-6-2-35)26-31-32(27-30)34(38)28-33(31)36-3-7-41-11-15-45-19-23-48-24-20-46-16-12-42-8-4-36/h25-28H,1-24H2
InChIKey XBNVFVKEZGZBQU-UHFFFAOYSA-N
Mol Weight 680.8 g/mol
Molecular Formula C34H52N2O12
Exact Mass 680.352025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mzgUA1DLxT
Name 3,5-Bis(aza-18-crown-6)-1,7-azulenequinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52N2O12
InChI InChI=1S/C34H52N2O12/c37-30-25-29(35-1-5-39-9-13-43-17-21-47-22-18-44-14-10-40-6-2-35)26-31-32(27-30)34(38)28-33(31)36-3-7-41-11-15-45-19-23-48-24-20-46-16-12-42-8-4-36/h25-28H,1-24H2
InChIKey XBNVFVKEZGZBQU-UHFFFAOYSA-N
Molecular Weight 680.792 g/mol
SMILES C=12C(=CC(C2=CC(=O)C=C(C1)N1CCOCCOCCOCCOCCOCC1)=O)N1CCOCCOCCOCCOCCOCC1
SPLASH splash10-0f89-0000109000-9ce118683cb7ddc2b43a
Source of Spectrum O1-54-440-5
Wiley ID 1591027