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2,1-Benzisoxazole-6-carboxylic acid, 5-chloro-3-phenyl-
SpectraBase Compound ID InuF32Weg5e
InChI InChI=1S/C14H8ClNO3/c15-11-6-10-12(7-9(11)14(17)18)16-19-13(10)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKey AODFWNQXKGIUQZ-UHFFFAOYSA-N
Mol Weight 273.67 g/mol
Molecular Formula C14H8ClNO3
Exact Mass 273.019271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uGCS18FToy
Name 2,1-BENZISOXAZOL-6-CARBOXYLIC ACID, 5-CHLORO-3-PHENYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H8ClNO3
InChI InChI=1S/C14H8ClNO3/c15-11-6-10-12(7-9(11)14(17)18)16-19-13(10)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChIKey AODFWNQXKGIUQZ-UHFFFAOYSA-N
Molecular Weight 273.0191
SMILES OC(=O)c1c(cc2c(onc2c1)-c1ccccc1)Cl
SPLASH splash10-00fr-5390000000-7262485d76c4a80e6321
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany