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Estragole
SpectraBase Compound ID HeHYHO0ieRL
InChI InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKey ZFMSMUAANRJZFM-UHFFFAOYSA-N
Mol Weight 148.2 g/mol
Molecular Formula C10H12O
Exact Mass 148.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWNt4MAQCoa
Name Estragole
CAS Registry Number 140-67-0
Classification Fragrance precursor
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 148.088815005 u
Formula C10H12O
InChI InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKey ZFMSMUAANRJZFM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 148.205 g/mol
Nominal Mass 148 u
Quality 985
Retention Index 1082
SMILES C1(=CC=C(C=C1)OC)CC=C
SPLASH splash10-0002-7900000000-bbe37fce1a1d12aa4404
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Allylphenyl methyl ether Isoanethole 1-Methoxy-4-prop-2-enyl-benzene
Technique GC/MS
Wiley ID DD2024_001331