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5,7-dichloro-2,1-benzisoxazole-3(1H)-one
SpectraBase Compound ID E6gKfXL9GZP
InChI InChI=1S/C7H3Cl2NO2/c8-3-1-4-6(5(9)2-3)10-12-7(4)11/h1-2,10H
InChIKey BXLLTUFRGHEHDP-UHFFFAOYSA-N
Mol Weight 204.01 g/mol
Molecular Formula C7H3Cl2NO2
Exact Mass 202.954084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4JyG9Q3yUv
Name 5,7-dichloro-2,1-benzisoxazole-3(1H)-one
Appearance Yellow thermally unstable crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3Cl2NO2
InChI InChI=1S/C7H3Cl2NO2/c8-3-1-4-6(5(9)2-3)10-12-7(4)11/h1-2,10H
InChIKey BXLLTUFRGHEHDP-UHFFFAOYSA-N
Instrument Name Thermo Electron Trace GC Ultra/DSQ II
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.86
Molecular Weight 204.012 g/mol
SMILES N1OC(c2c1c(cc(c2)Cl)Cl)=O
SPLASH splash10-0a4i-0900000000-0f73667d3422cedb07fe
Source of Spectrum BJO-12-SM7-2b
Wiley ID 1851809