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5-Chloro-3-hydroxy-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]indolin-2-one
SpectraBase Compound ID 4EtCezpYvcK
InChI InChI=1S/C14H10ClNO6/c15-6-1-2-9-8(3-6)14(21,13(20)16-9)12-11(19)10(18)4-7(5-17)22-12/h1-4,17,19,21H,5H2,(H,16,20)
InChIKey CHTYFYJAWASXBR-UHFFFAOYSA-N
Mol Weight 323.69 g/mol
Molecular Formula C14H10ClNO6
Exact Mass 323.019665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtNwgvAhmRi
Name 5-Chloro-3-hydroxy-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]indolin-2-one
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.019664740 u
Formula C14H10ClNO6
InChI InChI=1S/C14H10ClNO6/c15-6-1-2-9-8(3-6)14(21,13(20)16-9)12-11(19)10(18)4-7(5-17)22-12/h1-4,17,19,21H,5H2,(H,16,20)
InChIKey CHTYFYJAWASXBR-UHFFFAOYSA-N
Instrument Name Finningan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4419
Quality 340
SMILES N1C(C(C2=C(C(C=C(O2)CO)=O)O)(C=2C=C(C=CC12)Cl)O)=O
SPLASH splash10-0gw0-9500000000-03bc5d329dc6ac85d2cb
Source of Spectrum Y-59-768-2i (DOI: 10.1002/jhet.4419)
Wiley ID 1892449