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3-Ethenyl-5-methoxy-3,6-dimethyl-1-isobenzofuranone
SpectraBase Compound ID HEHufCRJtO7
InChI InChI=1S/C13H14O3/c1-5-13(3)10-7-11(15-4)8(2)6-9(10)12(14)16-13/h5-7H,1H2,2-4H3
InChIKey CMDCAXHXEQUZDL-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GL1lMxDpITw
Name 3-Ethenyl-5-methoxy-3,6-dimethyl-1-isobenzofuranone
Alternate Name(s) 3-Ethenyl-5-methoxy-3,6-dimethyl-2-benzofuran-1-one 5-Methoxy-3,6-dimethyl-3-vinyl-isobenzofuran-1-one 5-Methoxy-3,6-dimethyl-3-vinyl-phthalide
CAS Registry Number 87503-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-5-13(3)10-7-11(15-4)8(2)6-9(10)12(14)16-13/h5-7H,1H2,2-4H3
InChIKey CMDCAXHXEQUZDL-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C=CC1(C)c2c(cc(C)c(c2)OC)C(O1)=O
SPLASH splash10-0ufr-1590000000-1c0a8b2818a37276c4b8
Source of Spectrum KC-1987-2180-49
Wiley ID 1217741