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1-Isobenzofuranacetic acid, 7-amino-1,3-dihydro-3-oxo-, ethyl ester
SpectraBase Compound ID 6KCtUhgX5zR
InChI InChI=1S/C12H13NO4/c1-2-16-10(14)6-9-11-7(12(15)17-9)4-3-5-8(11)13/h3-5,9H,2,6,13H2,1H3
InChIKey YRDPBKNGOPUDAX-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHhTH5CX7aE
Name 1-Isobenzofuranacetic acid, 7-amino-1,3-dihydro-3-oxo-, ethyl ester
Alternate Name(s) 4-Amino-3-ethoxycarbonylmethylphthalide Ethyl (7-amino-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate 2-(7-amino-3-oxo-1H-isobenzofuran-1-yl)acetic acid ethyl ester Ethyl 2-(7-amino-3-oxo-1H-2-benzofuran-1-yl)acetate Ethyl 2-(7-amino-3-oxo-1H-isobenzofuran-1-yl)acetate Ethyl 2-(7-azanyl-3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoate
CAS Registry Number 83465-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-2-16-10(14)6-9-11-7(12(15)17-9)4-3-5-8(11)13/h3-5,9H,2,6,13H2,1H3
InChIKey YRDPBKNGOPUDAX-UHFFFAOYSA-N
Molecular Weight 235.239 g/mol
SMILES Nc1c2c(C(OC2CC(=O)OCC)=O)ccc1
SPLASH splash10-01ot-0920000000-527e8b52468bc8bae920
Source of Spectrum KC-1982-1860-0
Wiley ID 1236996