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O5-ethyl O1-methyl 2-(2-hex-1-ynylphenyl)pent-2-enedioate
SpectraBase Compound ID 7mWSpkMmwKl
InChI InChI=1S/C20H24O4/c1-4-6-7-8-11-16-12-9-10-13-17(16)18(20(22)23-3)14-15-19(21)24-5-2/h9-10,12-14H,4-7,15H2,1-3H3
InChIKey RUUPEPVBQRBYOM-UHFFFAOYSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9PWZY4lnEg
Name O5-ethyl O1-methyl 2-(2-hex-1-ynylphenyl)pent-2-enedioate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.167459249 u
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-4-6-7-8-11-16-12-9-10-13-17(16)18(20(22)23-3)14-15-19(21)24-5-2/h9-10,12-14H,4-7,15H2,1-3H3
InChIKey RUUPEPVBQRBYOM-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/anie.201604531
Molecular Weight 328.408 g/mol
Quality 365
Reported Formula C20H24O4
SMILES C1=CC(=C(C=C1)C#CCCCC)C(=CCC(OCC)=O)C(=O)OC
SPLASH splash10-0gb9-1981000000-19eac378b4b567e8f58c
Source of Spectrum ACI-55-SM10-S11 (DOI: 10.1002/anie.201604531)
Wiley ID 1899212