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3-Cyanomethyl-7-fluorophthalide
SpectraBase Compound ID 1sfJMAbr0Sh
InChI InChI=1S/C10H6FNO2/c11-7-3-1-2-6-8(4-5-12)14-10(13)9(6)7/h1-3,8H,4H2
InChIKey UXHWRMVZPGAFFT-UHFFFAOYSA-N
Mol Weight 191.16 g/mol
Molecular Formula C10H6FNO2
Exact Mass 191.038257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMGBcYSrW3z
Name 3-Cyanomethyl-7-fluorophthalide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6FNO2
InChI InChI=1S/C10H6FNO2/c11-7-3-1-2-6-8(4-5-12)14-10(13)9(6)7/h1-3,8H,4H2
InChIKey UXHWRMVZPGAFFT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201563r
Molecular Weight 191.161 g/mol
SMILES c1(cccc2C(OC(c12)=O)CC#N)F
SPLASH splash10-0udi-3900000000-d895da602a3105200ed2
Source of Spectrum A1-13-4153/SMS8-3ec
Synonyms 2-(4-fluoro-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetonitrile
Wiley ID 1753576