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Acetic acid, (5-nitro-3-oxo-1(3H)-isobenzofuranylidene)-, ethyl ester, (Z)-
SpectraBase Compound ID GDUxLNoNA2a
InChI InChI=1S/C12H9NO6/c1-2-18-11(14)6-10-8-4-3-7(13(16)17)5-9(8)12(15)19-10/h3-6H,2H2,1H3/b10-6+
InChIKey HPPWTTXBQOBVEU-UXBLZVDNSA-N
Mol Weight 263.2 g/mol
Molecular Formula C12H9NO6
Exact Mass 263.042987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eZS9fGHsdZ
Name Acetic acid, (5-nitro-3-oxo-1(3H)-isobenzofuranylidene)-, ethyl ester, (Z)-
Alternate Name(s) (E)-3-Ethoxycarbonylmethylidene-6-nitrophthalide Ethyl (2E)-(5-nitro-3-oxo-2-benzofuran-1(3H)-ylidene)ethanoate
CAS Registry Number 83465-68-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO6
InChI InChI=1S/C12H9NO6/c1-2-18-11(14)6-10-8-4-3-7(13(16)17)5-9(8)12(15)19-10/h3-6H,2H2,1H3/b10-6+
InChIKey HPPWTTXBQOBVEU-UXBLZVDNSA-N
Molecular Weight 263.205 g/mol
SMILES C1(O\C(c2c1cc(cc2)N(=O)=O)=C/C(=O)OCC)=O
SPLASH splash10-01bc-0960000000-1b6af3a1bcaccec9fcdd
Source of Spectrum KC-1982-1861-0
Wiley ID 1266698