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cisTANIN

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cisTANIN
SpectraBase Compound ID HRHqOiJHhFK
InChI InChI=1S/C9H14O4/c10-6-3-5-1-2-12-8-7(5)9(6,11)4-13-8/h5-8,10-11H,1-4H2/t5?,6-,7?,8-,9+/m1/s1
InChIKey JEOPUSJCPYFSMM-JMTCZOKESA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9T4e8lb3VcZ
Name CISTANIN
Compound Number 311
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c10-6-3-5-1-2-12-8-7(5)9(6,11)4-13-8/h5-8,10-11H,1-4H2/t5?,6-,7?,8-,9+/m1/s1
InChIKey JEOPUSJCPYFSMM-JMTCZOKESA-N
Literature Reference Author C.A.BOROS,F.R.STERMITZ
Literature Reference Citation J.NAT.PROD.,53,1055(1990)
Literature Reference DOI 10.1021/np50071a001
Molecular Weight 186.208 g/mol
Solvent C5D5N
Source File Reference UWMZ16272