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Ethyl (1-phenylbut-2-en-1-yl) carbonate
SpectraBase Compound ID KYi7E8qhtFg
InChI InChI=1S/C13H16O3/c1-3-8-12(16-13(14)15-4-2)11-9-6-5-7-10-11/h3,5-10,12H,4H2,1-2H3
InChIKey SFNMAOAUHMJQOA-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10Khf7P0zUK
Name Ethyl (1-phenylbut-2-en-1-yl) carbonate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-3-8-12(16-13(14)15-4-2)11-9-6-5-7-10-11/h3,5-10,12H,4H2,1-2H3
InChIKey SFNMAOAUHMJQOA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201394
Molecular Weight 220.268 g/mol
Quality 88
Reported Formula C13H16O3
SMILES C(OC(OCC)=O)(C=CC)C1=CC=CC=C1
SPLASH splash10-001i-0900000000-f104b860b402721e9551
Sample Comments E/Z = 78:22
Source of Spectrum ASC-365-SM13-5a (DOI: 10.1002/adsc.202201394)
Wiley ID 1902778