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3-Cyanomethyl-5-chlorophthalide
SpectraBase Compound ID 5JVkMW7HKR
InChI InChI=1S/C10H6ClNO2/c11-6-1-2-7-8(5-6)9(3-4-12)14-10(7)13/h1-2,5,9H,3H2
InChIKey ZXYQQVXXQDOQJR-UHFFFAOYSA-N
Mol Weight 207.62 g/mol
Molecular Formula C10H6ClNO2
Exact Mass 207.008706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyOfPpHFvhx
Name 3-Cyanomethyl-5-chlorophthalide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6ClNO2
InChI InChI=1S/C10H6ClNO2/c11-6-1-2-7-8(5-6)9(3-4-12)14-10(7)13/h1-2,5,9H,3H2
InChIKey ZXYQQVXXQDOQJR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201563r
Molecular Weight 207.616 g/mol
SMILES c1cc(cc2C(OC(c12)=O)CC#N)Cl
SPLASH splash10-014i-2910000000-f174aebf21d70b9e8ebe
Source of Spectrum A1-13-4153/SMS11-3ic
Synonyms 2-(6-Chloro-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetonitrile
Wiley ID 1753579