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2-METHYLENE-3-(6-HYDROXYHEXANYL)-BUTANEDIOIC-ACID
SpectraBase Compound ID 4f9vXQKYR3v
InChI InChI=1S/C11H18O5/c1-8(10(13)14)9(11(15)16)6-4-2-3-5-7-12/h9,12H,1-7H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKey DHVXMTMJTVCPBB-VIFPVBQESA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hRrY0mD5fO
Name (3S)-9-HYDROXY-3-CARBOXY-2-METHYLENE-NONANOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-8(10(13)14)9(11(15)16)6-4-2-3-5-7-12/h9,12H,1-7H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKey DHVXMTMJTVCPBB-VIFPVBQESA-N
Literature Reference Author J.L.LI,P.ZHANG,Y.M.LEE,J.HONG,E.S.YOO,K.S.BAE,J.H.JUNG
Literature Reference Citation CHEM.PHARM.BULL.,59,120(2011)
Literature Reference DOI 10.1248/cpb.59.120
Molecular Weight 230.261 g/mol
Sample ID 2658
Solvent CD3OD