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6-Methoxy-8-methylspiro[chromane-2,1'-cyclobutan]-3'-one
SpectraBase Compound ID FxIcxpyYtoD
InChI InChI=1S/C14H16O3/c1-9-5-12(16-2)6-10-3-4-14(17-13(9)10)7-11(15)8-14/h5-6H,3-4,7-8H2,1-2H3
InChIKey WVBABKVPHSSILM-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3s1PYdtUUJY
Name 6-Methoxy-8-methylspiro[chromane-2,1'-cyclobutan]-3'-one
Appearance Pale-beige solid
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
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Exact Mass 232.109944372 u
Formula C14H16O3
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C14H16O3/c1-9-5-12(16-2)6-10-3-4-14(17-13(9)10)7-11(15)8-14/h5-6H,3-4,7-8H2,1-2H3
InChIKey WVBABKVPHSSILM-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 232.279 g/mol
Quality 264
Reported Formula C14H16O3
SMILES C1=C(C=C(C2=C1CCC1(O2)CC(C1)=O)C)OC
SPLASH splash10-0f96-7920000000-fa599e93657ec89cea2d
Source of Spectrum QE-27-SM74-S25 (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.37 (SiO2, cHex/EtOAc, 3:1)
Wiley ID 1902023