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Acetic acid, (7-fluoro-3-oxo-1(3H)-isobenzofuranylidene)-, methyl ester, (Z)-
SpectraBase Compound ID 3FSihKYfwOa
InChI InChI=1S/C11H7FO4/c1-15-9(13)5-8-6-3-2-4-7(12)10(6)11(14)16-8/h2-5H,1H3/b8-5-
InChIKey LELULLNIVNVLEJ-YVMONPNESA-N
Mol Weight 222.17 g/mol
Molecular Formula C11H7FO4
Exact Mass 222.032837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcQD8mHIvf3
Name Acetic acid, (7-fluoro-3-oxo-1(3H)-isobenzofuranylidene)-, methyl ester, (Z)-
CAS Registry Number 122450-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7FO4
InChI InChI=1S/C11H7FO4/c1-15-9(13)5-8-6-3-2-4-7(12)10(6)11(14)16-8/h2-5H,1H3/b8-5-
InChIKey LELULLNIVNVLEJ-YVMONPNESA-N
Molecular Weight 222.171 g/mol
SMILES C1(c2c(cccc2F)\C(O1)=C\C(=O)OC)=O
SPLASH splash10-0006-0910000000-90031cf083b375c9d272
Source of Spectrum I-67-572-3
Synonyms (Z)-3-Methoxycarbonylmethylidene-7-fluorophthalide Methyl (2Z)-(4-fluoro-3-oxo-2-benzofuran-1(3H)-ylidene)ethanoate
Wiley ID 1221960