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1,3,5-Trichloro-2-isocyanobenzene
SpectraBase Compound ID 3MsqFUQaPvc
InChI InChI=1S/C7H2Cl3N/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H
InChIKey FXJGRGSNBWBJRZ-UHFFFAOYSA-N
Mol Weight 206.46 g/mol
Molecular Formula C7H2Cl3N
Exact Mass 204.925282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2zrwhJfcyv
Name 1,3,5-Trichloro-2-isocyanobenzene
Appearance Slightly purple crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.925282168 u
Formula C7H2Cl3N
InChI InChI=1S/C7H2Cl3N/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H
InChIKey FXJGRGSNBWBJRZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900903
Molecular Weight 206.459 g/mol
Quality 133
Reported Formula C7H2N(35)Cl3
SMILES C=1(Cl)C=C(C(=C(C1)Cl)[N+]#[C-])Cl
SPLASH splash10-0a4i-0190000000-daee6e62ddd24fd30186
Source of Spectrum QE-25-SM6-1 (DOI: 10.1002/chem.201900903)
Wiley ID 1893788