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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 LwsHZ6OgYo
Name Elemicin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Instrument Name Hewlett-Packard 5890 series II-5989B
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.4468
Molecular Weight 208.257 g/mol
SMILES c1c(c(c(cc1CC=C)OC)OC)OC
SPLASH splash10-0a4l-1930000000-2f17b4969465fa6eda98
Source of Spectrum SFA-91-2366-Elemicin
Wiley ID 1838628