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5-Methoxy-2-(3'-oxopropyl)benzoic acid
SpectraBase Compound ID LxktJ7jCIaV
InChI InChI=1S/C11H12O4/c1-15-9-5-4-8(3-2-6-12)10(7-9)11(13)14/h4-7H,2-3H2,1H3,(H,13,14)
InChIKey XQTWJSKLCJRITQ-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbOOOywhe76
Name 5-Methoxy-2-(3'-oxopropyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-15-9-5-4-8(3-2-6-12)10(7-9)11(13)14/h4-7H,2-3H2,1H3,(H,13,14)
InChIKey XQTWJSKLCJRITQ-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES OC(c1c(ccc(c1)OC)CCC=O)=O
SPLASH splash10-066r-1920000000-a861e6ded572bab8e5dd
Source of Spectrum OP-34-179-3
Synonyms 5-Methoxy-2-(3-oxopropyl)benzoic acid
Wiley ID 1577749