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2-(5-METHYL-TETRAHYDROFURANYL)-ACETIC-ACID;(ISOMER-1)
SpectraBase Compound ID HGrdvX5WFR2
InChI InChI=1S/C7H12O3/c1-5-2-3-6(10-5)4-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey VODQLTAWGPQMGI-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Djk8YSD8PdR
Name 2-(5-METHYL-TETRAHYDROFURANYL)-ACETIC-ACID;(ISOMER-2)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-5-2-3-6(10-5)4-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey VODQLTAWGPQMGI-UHFFFAOYSA-N
Literature Reference Author M.WHITTAKER,C.R.MCARTHUR,C.C.LEZNOFF
Literature Reference Citation CAN.J.CHEM.,63,2844(1985)
Literature Reference DOI 10.1139/v85-475
Molecular Weight 144.170 g/mol
Solvent CDCl3
Source File Reference UWED1416