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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 4IENajgr1DG
Name 5-Allyl-1,4-dimethoxy-2,3-methylenedioxy-benzene
CAS Registry Number 523-80-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Bruker WP-80
Literature Reference V. Formacek, Thesis (Ph.D.), Univ. of Wuerzburg, Germany (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Benzene-D6