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5,7-Dibromo-3-hydroxy-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]indolin-2-one
SpectraBase Compound ID J2Ka5vIzsG7
InChI InChI=1S/C14H9Br2NO6/c15-5-1-7-10(8(16)2-5)17-13(21)14(7,22)12-11(20)9(19)3-6(4-18)23-12/h1-3,18,20,22H,4H2,(H,17,21)
InChIKey OUHFBTCOVPFNCC-UHFFFAOYSA-N
Mol Weight 447.04 g/mol
Molecular Formula C14H9Br2NO6
Exact Mass 444.879663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLGN98gz8SS
Name 5,7-Dibromo-3-hydroxy-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]indolin-2-one
Appearance Yellowish powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.879663008 u
Formula C14H9Br2NO6
InChI InChI=1S/C14H9Br2NO6/c15-5-1-7-10(8(16)2-5)17-13(21)14(7,22)12-11(20)9(19)3-6(4-18)23-12/h1-3,18,20,22H,4H2,(H,17,21)
InChIKey OUHFBTCOVPFNCC-UHFFFAOYSA-N
Instrument Name Finningan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4419
Molecular Weight 447.035 g/mol
Quality 306
SMILES N1C(C(C2=C(C(C=C(O2)CO)=O)O)(C=2C=C(C=C(C12)Br)Br)O)=O
SPLASH splash10-016u-9551000000-fc80b3d5494481d88b1b
Source of Spectrum Y-59-769-2l (DOI: 10.1002/jhet.4419)
Wiley ID 1892452