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3,4-PENTAMETHYLENE-5-CARBOXYISOXAZOLE
SpectraBase Compound ID YtmS8jwyUG
InChI InChI=1S/C9H11NO3/c11-9(12)8-6-4-2-1-3-5-7(6)10-13-8/h1-5H2,(H,11,12)
InChIKey XPNLDFVJBFVCIC-UHFFFAOYSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TaqI1FCnCu
Name 3,4-PENTAMETHYLENE-5-CARBOXYISOXAZOLE
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c11-9(12)8-6-4-2-1-3-5-7(6)10-13-8/h1-5H2,(H,11,12)
InChIKey XPNLDFVJBFVCIC-UHFFFAOYSA-N
Literature Reference Author M.A.P.MARTINS,S.BRONDANI,V.L.LEIDENS,D.C.FLORES,S.MOURA,N.ZA NATTA,M.HOERNER,A.F.
Literature Reference Citation CAN.J.CHEM.,83,1171(2005)
Literature Reference DOI 10.1139/v05-130
Molecular Weight 181.191 g/mol
Solvent CDCl3;0.02M
Source File Reference UWLU30298