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Apiole

View entire compound with spectra: 4 NMR, and 9 MS (GC)

Apiole
SpectraBase Compound ID Eue1vj0DLS9
InChI InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
InChIKey QQRSPHJOOXUALR-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gldsa4je6vr
Name APIOLE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
InChIKey QQRSPHJOOXUALR-UHFFFAOYSA-N
Literature Reference Author B.V.D.O.SANTOS,E.V.L.DA-CUNHA,M.C.D.O.CHAVES,A.I.GRAY
Literature Reference Citation PHYTOCHEM.,49,1381(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00100-9
Molecular Weight 222.241 g/mol
Solvent CDCl3
Source File Reference UWLU556