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3-OXOBUTYL-4-METHYLBENZOATE

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3-OXOBUTYL-4-METHYLBENZOATE
SpectraBase Compound ID 2zAwYvQqDvA
InChI InChI=1S/C12H14O3/c1-9-3-5-11(6-4-9)12(14)15-8-7-10(2)13/h3-6H,7-8H2,1-2H3
InChIKey AALLGGJMCKQSAJ-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mFmg8l1CN1
Name 3-OXOBUTYL-4-METHYLBENZOATE
Compound Number 2B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-9-3-5-11(6-4-9)12(14)15-8-7-10(2)13/h3-6H,7-8H2,1-2H3
InChIKey AALLGGJMCKQSAJ-UHFFFAOYSA-N
Literature Reference Author K.KOESTLER,H.ROSEMEYER
Literature Reference Citation MOLECULES,14,4326(2009)
Literature Reference DOI 10.3390/molecules14114326
Molecular Weight 206.241 g/mol
Sample ID 69873
Solvent DMSO-D6