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methyl 4-hydroxy-3-(1-isopropylidene-4-methoxy-4-oxo-but-2-enyl)benzoate
SpectraBase Compound ID Ipj9uV4I9AX
InChI InChI=1S/C16H18O5/c1-10(2)12(6-8-15(18)20-3)13-9-11(16(19)21-4)5-7-14(13)17/h5-9,17H,1-4H3
InChIKey CGJBOAYNYABEOL-UHFFFAOYSA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ri4pkTLIMJ
Name methyl 4-hydroxy-3-(1-isopropylidene-4-methoxy-4-oxo-but-2-enyl)benzoate
Appearance Pale yellow oil
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Exact Mass 290.115423675 u
Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-10(2)12(6-8-15(18)20-3)13-9-11(16(19)21-4)5-7-14(13)17/h5-9,17H,1-4H3
InChIKey CGJBOAYNYABEOL-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201803360
Quality 162
Reported Formula C16H18O5
SMILES OC=1C=CC(=CC1C(C=CC(OC)=O)=C(C)C)C(=O)OC
SPLASH splash10-0a5c-0190000000-39da6846d8108fc8addc
Source of Spectrum QE-24-SM6-13 (DOI: 10.1002/chem.201803360)
Wiley ID 1901826