β-Asarone

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Systematic / IUPAC Name: 1,2,4-Trimethoxy-5-[(1Z)-1-propen-1-yl]benzene

ID: Reference5831

Other Names: (Z)-Asarone;
cis-Asarone;
cis-Isoasarone;
(Z)-1,2,4-Trimethoxy-5-(1-propenyl)benzene;
(Z)-5-Propenyl-1,2,4-trimethoxybenzene ; more

Formula: C12H16O3

Class: Endogenous Metabolites

Spectral Data

β-Asarone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/26/2016 12:22:15 PM
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Identificators

InChI InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-
InChI Key RKFAZBXYICVSKP-WAYWQWQTSA-N
Canonical SMILES CC=CC1=CC(=C(C=C1OC)OC)OC
CAS 5273869
Splash
Other Names (Z)-Asarone;
cis-Asarone;
cis-Isoasarone;
(Z)-1,2,4-Trimethoxy-5-(1-propenyl)benzene;
(Z)-5-Propenyl-1,2,4-trimethoxybenzene;
cis-1-Propenyl-2,4,5-trimethoxybenzene;
cis-2,4,5-Trimethoxy-1-propenylbenzene;
cis-2,4,5-Trimethoxyphenylpropene;
1,2,4-Trimethoxy-5-[(Z)-1-propenyl]benzene ;
1,2,4-Trimethoxy-5-[(Z)-prop-1-enyl]benzene;
2,4,5-Trimethoxypropen-1-ylbenzene;
Benzene, 1,2,4-trimethoxy-5-propenyl-, (Z)-

In Other Databases

ChemIDPlus 002883989
Wikipedia Asarone
ChemSpider 4445072
KEGG C10430
ChEMBL CHEMBL477752
ChEBI CHEBI:10353
PubChem 5281758