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1H-2-Benzopyran-7-carboxaldehyde, 8-hydroxy-6-methoxy-3-methyl-1-oxo-
SpectraBase Compound ID KujyPePMBVh
InChI InChI=1S/C12H10O5/c1-6-3-7-4-9(16-2)8(5-13)11(14)10(7)12(15)17-6/h3-5,14H,1-2H3
InChIKey QMVNZHIVIFJCPC-UHFFFAOYSA-N
Mol Weight 234.21 g/mol
Molecular Formula C12H10O5
Exact Mass 234.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPdhcGmRQHF
Name 1H-2-Benzopyran-7-carboxaldehyde, 8-hydroxy-6-methoxy-3-methyl-1-oxo-
CAS Registry Number 114992-33-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O5
InChI InChI=1S/C12H10O5/c1-6-3-7-4-9(16-2)8(5-13)11(14)10(7)12(15)17-6/h3-5,14H,1-2H3
InChIKey QMVNZHIVIFJCPC-UHFFFAOYSA-N
Molecular Weight 234.207 g/mol
SMILES Oc1c2C(OC(=Cc2cc(OC)c1C=O)C)=O
SPLASH splash10-0a4i-0090000000-e525ef27bc783368e0a4
Source of Spectrum KC-1988-753-0
Synonyms 7-Formyl-8-hydroxy-6-methoxy-3-methylisocoumarin 8-hydroxy-6-methoxy-3-methyl-1-oxo-1H-2-benzopyran-7-carbaldehyde 8-hydroxy-6-methoxy-3-methyl-1-oxo-2-benzopyran-7-carboxaldehyde 8-hydroxy-6-methoxy-3-methyl-1-oxoisochromene-7-carbaldehyde 8-hydroxy-6-methoxy-3-methyl-1-oxo-isochromene-7-carbaldehyde 6-methoxy-3-methyl-8-oxidanyl-1-oxidanylidene-isochromene-7-carbaldehyde
Wiley ID 1235709