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Bromadiolone-A
SpectraBase Compound ID 6o5cK68raNf
InChI InChI=1S/C21H15BrO/c22-20-13-11-18(12-14-20)17-7-9-19(10-8-17)21(23)15-6-16-4-2-1-3-5-16/h1-15H/b15-6-
InChIKey NTCBUXIQMLORSI-UUASQNMZSA-N
Mol Weight 363.25 g/mol
Molecular Formula C21H15BrO
Exact Mass 362.030628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzOIknwBfhE
Name Bromadiolone-A
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.030628102 u
Formula C21H15BrO
InChI InChI=1S/C21H15BrO/c22-20-13-11-18(12-14-20)17-7-9-19(10-8-17)21(23)15-6-16-4-2-1-3-5-16/h1-15H/b15-6-
InChIKey NTCBUXIQMLORSI-UUASQNMZSA-N
Molecular Weight 363.254 g/mol
SMILES C1(C2=CC=C(C=C2)Br)=CC=C(C(\C=C/C=2C=CC=CC2)=O)C=C1