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[1,2,3,4-(3-CH3)-(13)C(5)]-3-METHYL-2-BUTENOATE

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[1,2,3,4-(3-CH3)-(13)C(5)]-3-METHYL-2-BUTENOATE
SpectraBase Compound ID G5dNhN0x67W
InChI InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3/i2+1,3+1,5+1,6+1,7+1
InChIKey UTXVCHVLDOLVPC-BGEOFTRISA-N
Mol Weight 133.13 g/mol
Molecular Formula C213C5H12O2
Exact Mass 133.100504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nsuQn3EYA4
Name [1,2,3,4-(3-CH3)-(13)C(5)]-3-METHYL-2-BUTENOATE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C213C5H12O2
InChI InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3/i2+1,3+1,5+1,6+1,7+1
InChIKey UTXVCHVLDOLVPC-BGEOFTRISA-N
Literature Reference Author A.F.L.CREEMERS,J.LUGTENBURG
Literature Reference Citation J.AM.CHEM.SOC.,124,6324(2002)
Literature Reference DOI 10.1021/ja012368h
Molecular Weight 133.133 g/mol
Sample ID 50449
Solvent CDCl3