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3-Amino-2-(thiochroman-4-ylideneazo)-5-(3-nitrophenylazo)-thiazol-4-one
SpectraBase Compound ID 49G3Ls2jQh1
InChI InChI=1S/C18H15N7O3S2/c19-24-17(26)16(22-20-11-4-3-5-12(10-11)25(27)28)30-18(24)23-21-14-8-9-29-15-7-2-1-6-13(14)15/h1-7,10,20H,8-9,19H2
InChIKey MBIGTFRUOMOMPE-UHFFFAOYSA-N
Mol Weight 441.48 g/mol
Molecular Formula C18H15N7O3S2
Exact Mass 441.06778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88XIO1DI50C
Name 3-Amino-2-(thiochroman-4-ylideneazo)-5-(3-nitrophenylazo)-thiazol-4-one
Appearance Buff solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N7O3S2
InChI InChI=1S/C18H15N7O3S2/c19-24-17(26)16(22-20-11-4-3-5-12(10-11)25(27)28)30-18(24)23-21-14-8-9-29-15-7-2-1-6-13(14)15/h1-7,10,20H,8-9,19H2
InChIKey MBIGTFRUOMOMPE-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2838
Molecular Weight 441.484 g/mol
SMILES NN1C(SC(=NNc2cc(ccc2)[N+]([O-])=O)C1=O)=NN=C1c2ccccc2SCC1
SPLASH splash10-08g3-2910200000-6b67ef83df36fb0c863e
Source of Spectrum Y-54-2424-10d
Wiley ID 1878469