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6-Methylcoumarin-3-carboxylic acid
SpectraBase Compound ID 9zdJnH6PiHg
InChI InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
InChIKey FJICLQQBBFWGMZ-UHFFFAOYSA-N
Mol Weight 204.18 g/mol
Molecular Formula C11H8O4
Exact Mass 204.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2is4dZq0Q4
Name 6-Methylcoumarin-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8O4
InChI InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
InChIKey FJICLQQBBFWGMZ-UHFFFAOYSA-N
Instrument Name Hewlett- Packard-5972-MSD
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.7b00918
Molecular Weight 204.181 g/mol
SMILES OC(C1=Cc2cc(ccc2OC1=O)C)=O
SPLASH splash10-0w30-2920000000-888a7b265f67f4bcbd1d
Source of Spectrum AF-60-SM4-6a
Wiley ID 1870148