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2-Oxo-3,4-dipropyl-2H-chromene-6-carbaldehyde
SpectraBase Compound ID EAKnXMVCu85
InChI InChI=1S/C16H18O3/c1-3-5-12-13(6-4-2)16(18)19-15-8-7-11(10-17)9-14(12)15/h7-10H,3-6H2,1-2H3
InChIKey PUTCEXMBPVJGST-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID II5s3Sdj3Ge
Name 2-Oxo-3,4-dipropyl-2H-chromene-6-carbaldehyde
Carrier Gas Argon
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Exact Mass 258.125594437 u
Formula C16H18O3
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C16H18O3/c1-3-5-12-13(6-4-2)16(18)19-15-8-7-11(10-17)9-14(12)15/h7-10H,3-6H2,1-2H3
InChIKey PUTCEXMBPVJGST-UHFFFAOYSA-N
Instrument Name Agilent HP-5890
Ionization Type EI
Literature Reference DOI 10.1002/anie.201608715
Molecular Weight 258.317 g/mol
Quality 322
Reported Formula C16H18O3
SMILES C1(=O)OC2=C(C(=C1CCC)CCC)C=C(C=C2)C=O
SPLASH splash10-066u-0390000000-1b4dc255b843afa042c8
Source of Spectrum ACI-55-SM14-3hh (DOI: 10.1002/anie.201608715)
Wiley ID 1901052