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MUKANADIN-C
SpectraBase Compound ID H3yK94E8PZB
InChI InChI=1S/C7H7BrN2O2/c8-4-1-5-7(12)9-2-6(11)10(5)3-4/h1,3,6,11H,2H2,(H,9,12)
InChIKey OBNHKRQJEMDNIG-UHFFFAOYSA-N
Mol Weight 231.05 g/mol
Molecular Formula C7H7BrN2O2
Exact Mass 229.96909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kdw4VN4To
Name 7-Bromo-4-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
Appearance Colorless solid
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Exact Mass 229.969090471 u
Formula C7H7BrN2O2
InChI InChI=1S/C7H7BrN2O2/c8-4-1-5-7(12)9-2-6(11)10(5)3-4/h1,3,6,11H,2H2,(H,9,12)
InChIKey OBNHKRQJEMDNIG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 XLT
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503695
Quality 512
Reported Formula C7H7BrN2O2
SMILES N1C(C=2N(C(C1)O)C=C(C2)Br)=O
SPLASH splash10-00di-1960000000-8a766cabef639e3c9aec
Sample Comments rac-mukanadin C
Source of Spectrum QE-22-SM29-48 (DOI: 10.1002/chem.201503695)
Thin-Layer Chromatography 0.21 (CHCl3/MeOH, 10:1)
Wiley ID 1902974