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[1-13C]-6-Bromo-2,3-dimethyl-p-benzoquinone
SpectraBase Compound ID 1STdCBwka0R
InChI InChI=1S/C8H7BrO2/c1-4-5(2)8(11)6(9)3-7(4)10/h3H,1-2H3/i8+1
InChIKey MRGMEMSZSWATNG-VJJZLTLGSA-N
Mol Weight 216.04 g/mol
Molecular Formula C713CH7BrO2
Exact Mass 214.966297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ssMV5PHdcq
Name [1-13C]-6-Bromo-2,3-dimethyl-p-benzoquinone
Comments Original formula: C7[13C]H7BrO2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrO2
InChI InChI=1S/C8H7BrO2/c1-4-5(2)8(11)6(9)3-7(4)10/h3H,1-2H3/i8+1
InChIKey MRGMEMSZSWATNG-VJJZLTLGSA-N
Molecular Weight 216.038 g/mol
SMILES C=1([13C](C(=CC(C1C)=O)Br)=O)C
SPLASH splash10-014i-2790000000-fb4feb9695c7bdf33db5
Source of Spectrum U1-2002-2105-5
Synonyms 5-Bromo-2,3-dimethylcyclohexa-2,5-diene-1,4-dione 5-Bromo-2,3-dimethyl-1,4-benzoquinone 5-Bromanyl-2,3-dimethyl-cyclohexa-2,5-diene-1,4-dione
Wiley ID 1522699