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5-Bromo-3-(aza-15-crown-5)-1,7-azulenequinone

View entire compound with spectra: 1 MS (GC)

5-Bromo-3-(aza-15-crown-5)-1,7-azulenequinone
SpectraBase Compound ID 5zAhk7DyqN6
InChI InChI=1S/C20H24BrNO6/c21-15-11-16(23)13-18-17(12-15)19(14-20(18)24)22-1-3-25-5-7-27-9-10-28-8-6-26-4-2-22/h11-14H,1-10H2
InChIKey SUZNZPYZNFDRQB-UHFFFAOYSA-N
Mol Weight 454.32 g/mol
Molecular Formula C20H24BrNO6
Exact Mass 453.0787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8zpPMBZvZq
Name 5-Bromo-3-(aza-15-crown-5)-1,7-azulenequinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24BrNO6
InChI InChI=1S/C20H24BrNO6/c21-15-11-16(23)13-18-17(12-15)19(14-20(18)24)22-1-3-25-5-7-27-9-10-28-8-6-26-4-2-22/h11-14H,1-10H2
InChIKey SUZNZPYZNFDRQB-UHFFFAOYSA-N
Molecular Weight 454.317 g/mol
SMILES C=12C(=CC(C2=CC(=O)C=C(C1)Br)=O)N1CCOCCOCCOCCOCC1
SPLASH splash10-0pb9-0003900000-f78ff970d633f24e131c
Source of Spectrum O1-54-440-2
Wiley ID 1591033