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(3E)-3-(1,3-benzodioxol-5-ylmethylene)isobenzofuran-1-one
SpectraBase Compound ID 4ReL2JaCtxQ
InChI InChI=1S/C16H10O4/c17-16-12-4-2-1-3-11(12)14(20-16)7-10-5-6-13-15(8-10)19-9-18-13/h1-8H,9H2/b14-7+
InChIKey VYUQITGMYUETQM-VGOFMYFVSA-N
Mol Weight 266.25 g/mol
Molecular Formula C16H10O4
Exact Mass 266.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aCXqZEB5h3
Name (3E)-3-(1,3-benzodioxol-5-ylmethylene)isobenzofuran-1-one
Alternate Name(s) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1-isobenzofuranone (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-2-benzofuran-1-one (3E)-3-piperonylidenephthalide
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Formula C16H10O4
InChI InChI=1S/C16H10O4/c17-16-12-4-2-1-3-11(12)14(20-16)7-10-5-6-13-15(8-10)19-9-18-13/h1-8H,9H2/b14-7+
InChIKey VYUQITGMYUETQM-VGOFMYFVSA-N
Molecular Weight 266.252 g/mol
SMILES C1(O\C(c2c1cccc2)=C/c1cc2OCOc2cc1)=O
SPLASH splash10-014i-0290000000-ff6ea56996d8e52eb06c
Source of Spectrum H1-36-562-3
Wiley ID 755055