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TRANS,CIS-NEPETALINIC-ACID
SpectraBase Compound ID oXVsqhibMw
InChI InChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,7+,8-/m1/s1
InChIKey OIFCPZGZZQQDNO-VGRMVHKJSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7c3NyM0wIf5
Name TRANS,CIS-NEPETALINIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,7+,8-/m1/s1
InChIKey OIFCPZGZZQQDNO-VGRMVHKJSA-N
Literature Reference Author T.SAKAI,K.MORITA,C.MATSUMURA,A.SUDO,S.TSUBOI,A.TAKEDA
Literature Reference Citation J.ORG.CHEM.,46,4774(1981)
Literature Reference DOI 10.1021/jo00336a030
Molecular Weight 200.235 g/mol
Solvent CDCl3
Source File Reference UNIW17374