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1(3H)-Isobenzofuranone, 3-(3,5-dimethoxyphenyl)-5-methoxy-7-methyl-
SpectraBase Compound ID FC7o01z2wgy
InChI InChI=1S/C18H18O5/c1-10-5-12(20-2)9-15-16(10)18(19)23-17(15)11-6-13(21-3)8-14(7-11)22-4/h5-9,17H,1-4H3
InChIKey LGANLBQTJFYALD-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjT5U0xBCxr
Name 1(3H)-Isobenzofuranone, 3-(3,5-dimethoxyphenyl)-5-methoxy-7-methyl-
Alternate Name(s) 3-(3,5-dimethoxyphenyl)-5-methoxy-7-methyl-2-benzofuran-1(3H)-one 5-Methoxy-7-methyl-3-(3',5'-dimethoxyphenyl)phthalide
CAS Registry Number 90359-75-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-10-5-12(20-2)9-15-16(10)18(19)23-17(15)11-6-13(21-3)8-14(7-11)22-4/h5-9,17H,1-4H3
InChIKey LGANLBQTJFYALD-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES C1(OC(c2cc(OC)cc(c2)OC)c2c1c(cc(OC)c2)C)=O
SPLASH splash10-01ot-0906000000-04aa0463fbd1dcfb9197
Source of Spectrum J-54-4388-11
Wiley ID 1315103