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Elemicin
SpectraBase Compound ID 18yIi7OgpvR
InChI InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
InChIKey BPLQKQKXWHCZSS-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmRxASYSd2e
Name Elemicin
CAS Registry Number 487-11-6
Classification Designer drug precursor
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 208.109944372 u
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
InChIKey BPLQKQKXWHCZSS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 208.257 g/mol
Nominal Mass 208 u
Quality 950
Retention Index 1500
SMILES C1(=C(C(=CC(=C1)CC=C)OC)OC)OC
SPLASH splash10-0a4i-1940000000-d85847ebee97f311d0c1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,2,3-Trimethoxy-5-(2-propenyl)benzene 5-Allyl-1,2,3-trimethoxybenzene
Technique GC/MS
Wiley ID DD2024_014500