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FDAOUJHEWGCELW-UHFFFAOYSA-N
SpectraBase Compound ID Joi31Ctqe17
InChI InChI=1S/C10H10O4/c11-5-4-8-6-2-1-3-7(12)9(6)10(13)14-8/h1-3,8,11-12H,4-5H2
InChIKey FDAOUJHEWGCELW-UHFFFAOYSA-N
Mol Weight 194.19 g/mol
Molecular Formula C10H10O4
Exact Mass 194.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60LSvBzzPFL
Name 7-hydroxy-3-(2-hydroxyethyl)-1(3H)-isobenzofuranone
Alternate Name(s) Isoochracinol
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O4
InChI InChI=1S/C10H10O4/c11-5-4-8-6-2-1-3-7(12)9(6)10(13)14-8/h1-3,8,11-12H,4-5H2
InChIKey FDAOUJHEWGCELW-UHFFFAOYSA-N
Instrument Name Finnigan Voyager
Ionization Type EI
Literature Reference DOI 10.1021/np020097y
Molecular Weight 194.186 g/mol
Reported Formula C10H9O4
SMILES OCCC1OC(c2c1cccc2O)=O
SPLASH splash10-00fv-5900000000-7a258100294310974b30
Source of Spectrum G4-65-881-5
Wiley ID 1883741