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7-Hydroxy-6-iodo-1-keto-8-methoxy-isochromene-3-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

7-Hydroxy-6-iodo-1-keto-8-methoxy-isochromene-3-carboxylic acid methyl ester
SpectraBase Compound ID C9m4l8SYazq
InChI InChI=1S/C12H9IO6/c1-17-10-8-5(3-6(13)9(10)14)4-7(11(15)18-2)19-12(8)16/h3-4,14H,1-2H3
InChIKey CWQLDYXXZIEEIB-UHFFFAOYSA-N
Mol Weight 376.1 g/mol
Molecular Formula C12H9IO6
Exact Mass 375.944383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aHuLIcewLb
Name 7-Hydroxy-6-iodo-1-keto-8-methoxy-isochromene-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9IO6
InChI InChI=1S/C12H9IO6/c1-17-10-8-5(3-6(13)9(10)14)4-7(11(15)18-2)19-12(8)16/h3-4,14H,1-2H3
InChIKey CWQLDYXXZIEEIB-UHFFFAOYSA-N
Molecular Weight 376.102 g/mol
SMILES Oc1c(cc2C=C(OC(c2c1OC)=O)C(=O)OC)I
SPLASH splash10-004i-4059000000-27a0094a45f6bbbc4f32
Source of Spectrum F4-0-3577-17
Synonyms 7-Hydroxy-6-iodo-8-methoxy-1-oxo-2-benzopyran-3-carboxylic acid methyl ester Methyl 6-iodanyl-8-methoxy-7-oxidanyl-1-oxidanylidene-isochromene-3-carboxylate Methyl 7-hydroxy-6-iodo-8-methoxy-1-oxo-isochromene-3-carboxylate
Wiley ID 1619168