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4-(3-keto-3-methoxy-propyl)benzoic acid
SpectraBase Compound ID 7wLyIj7aegm
InChI InChI=1S/C11H12O4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6H,4,7H2,1H3,(H,13,14)
InChIKey WDYXTBQUPCLKQQ-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 3pNUK5WedU
Name 4-(3-keto-3-methoxy-propyl)benzoic acid
Alternate Name(s) 4-(3-Methoxy-3-oxidanylidene-propyl)benzoic acid 4-(3-Methoxy-3-oxo-propyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6H,4,7H2,1H3,(H,13,14)
InChIKey WDYXTBQUPCLKQQ-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES OC(c1ccc(cc1)CCC(=O)OC)=O
SPLASH splash10-05mt-5920000000-a3de5fea2c82b95f95ef
Source of Spectrum J-1-142-13
Wiley ID 1577549