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(3S,4R)-3-CARBOXY-2-METHYLENE-HEPTAN-4-OLIDE
SpectraBase Compound ID K2dzfMZDa9e
InChI InChI=1S/C9H12O4/c1-3-4-6-7(8(10)11)5(2)9(12)13-6/h6-7H,2-4H2,1H3,(H,10,11)/t6-,7+/m1/s1
InChIKey SRQUTZJZABSZRQ-RQJHMYQMSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID q0c4Dw7DoJ
Name (3S,4R)-3-CARBOXY-2-METHYLENE-HEPTAN-4-OLIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-3-4-6-7(8(10)11)5(2)9(12)13-6/h6-7H,2-4H2,1H3,(H,10,11)/t6-,7+/m1/s1
InChIKey SRQUTZJZABSZRQ-RQJHMYQMSA-N
Literature Reference Author G.HE,H.MATSUURA,T.YOSHIHARA
Literature Reference Citation PHYTOCHEM.,65,2803(2004)
Literature Reference DOI 10.1016/j.phytochem.2004.08.011
Molecular Weight 184.192 g/mol
Solvent CDCl3
Source File Reference UWVN30043