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5-(but-3-en-1-yn-1-yl)-1,2,3-trimethoxybenzene
SpectraBase Compound ID Exes47HwAJx
InChI InChI=1S/C13H14O3/c1-5-6-7-10-8-11(14-2)13(16-4)12(9-10)15-3/h5,8-9H,1H2,2-4H3
InChIKey OZHIAYAITQGMBJ-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RlBaI9PgR3
Name 5-(but-3-en-1-yn-1-yl)-1,2,3-trimethoxybenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.094294308 u
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-5-6-7-10-8-11(14-2)13(16-4)12(9-10)15-3/h5,8-9H,1H2,2-4H3
InChIKey OZHIAYAITQGMBJ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202421
Molecular Weight 218.252 g/mol
Quality 229
Reported Formula C13H14O3
SMILES C(#CC=C)C=1C=C(C(=C(C1)OC)OC)OC
SPLASH splash10-0gb9-0490000000-909817647e707f88fbbc
Source of Spectrum QE-28-SM25-3n (DOI: 10.1002/chem.202202421)
Wiley ID 1900770