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ethyl 5-(1,3-benzodioxol-5-yl)pent-4-en-2-ynoate
SpectraBase Compound ID 9D6Xw1u5Kut
InChI InChI=1S/C14H12O4/c1-2-16-14(15)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h3,5,7-9H,2,10H2,1H3
InChIKey ZDHJHVFUMSBRDG-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C14H12O4
Exact Mass 244.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3vNkqZYU7x
Name ethyl 5-(1,3-benzodioxol-5-yl)pent-4-en-2-ynoate
Appearance White solid
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Exact Mass 244.073558862 u
Formula C14H12O4
InChI InChI=1S/C14H12O4/c1-2-16-14(15)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h3,5,7-9H,2,10H2,1H3
InChIKey ZDHJHVFUMSBRDG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503403
Molecular Weight 244.246 g/mol
Quality 600
Reported Formula C14H12O4
SMILES C12=CC(=CC=C2OCO1)C=CC#CC(=O)OCC
SPLASH splash10-01vp-4960000000-dd0fb03b9e9bcd38ad64
Source of Spectrum QE-22-SM17-21 (DOI: 10.1002/chem.201503403)
Wiley ID 1902907