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2-(phenylmethylene)-6-isopropoxy-benzo[d]furan-3-one
SpectraBase Compound ID 3B2Gl2HcNJR
InChI InChI=1S/C18H16O3/c1-12(2)20-14-8-9-15-16(11-14)21-17(18(15)19)10-13-6-4-3-5-7-13/h3-12H,1-2H3/b17-10-
InChIKey NRKIQAUPMFUJCJ-YVLHZVERSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BXMJ8Mg0CX
Name 2-(phenylmethylene)-6-isopropoxy-benzo[d]furan-3-one
Alternate Name(s) (2Z)-2-benzylidene-6-isopropoxy-1-benzofuran-3(2H)-one
CAS Registry Number 128791-94-6
Comments Less than 3 mono-isotopic peaks
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Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-12(2)20-14-8-9-15-16(11-14)21-17(18(15)19)10-13-6-4-3-5-7-13/h3-12H,1-2H3/b17-10-
InChIKey NRKIQAUPMFUJCJ-YVLHZVERSA-N
Molecular Weight 280.323 g/mol
SMILES C1(\C(Oc2cc(ccc12)OC(C)C)=C\c1ccccc1)=O
SPLASH splash10-001r-0090000000-53a44c64e58278dc6eef
Source of Spectrum KC-1990-424-2
Wiley ID 1284273