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1-azido-2-(2-isothiocyanatophenyl)benzene
SpectraBase Compound ID 9HD6EARVtKn
InChI InChI=1S/C13H8N4S/c14-17-16-13-8-4-2-6-11(13)10-5-1-3-7-12(10)15-9-18/h1-8H
InChIKey MMILKPQYPSYRLT-UHFFFAOYSA-N
Mol Weight 252.29 g/mol
Molecular Formula C13H8N4S
Exact Mass 252.046967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Us6jdbjLE
Name 1-azido-2-(2-isothiocyanatophenyl)benzene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N4S
InChI InChI=1S/C13H8N4S/c14-17-16-13-8-4-2-6-11(13)10-5-1-3-7-12(10)15-9-18/h1-8H
InChIKey MMILKPQYPSYRLT-UHFFFAOYSA-N
Molecular Weight 252.295 g/mol
SMILES c1(c(cccc1)N=[N+]=[N-])-c1c(cccc1)N=C=S
SPLASH splash10-0udi-0090000000-79429b4eac6c5149621f
Source of Spectrum J-64-1129-10
Wiley ID 1529344