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3-(3-Nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4] triazolo[1,2-a]pyridazine-1-thione
SpectraBase Compound ID E1GGVQp3jSu
InChI InChI=1S/C12H14N4O2S/c17-16(18)10-5-3-4-9(8-10)11-13-12(19)15-7-2-1-6-14(11)15/h3-5,8,11H,1-2,6-7H2,(H,13,19)
InChIKey NYJAOUVWZVZSQH-UHFFFAOYSA-N
Mol Weight 278.33 g/mol
Molecular Formula C12H14N4O2S
Exact Mass 278.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0u6KDi09Dq
Name 3-(3-Nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-[1,2,4] triazolo[1,2-a]pyridazine-1-thione
Alternate Name(s) 3-(3-nitrophenyl)hexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N4O2S
InChI InChI=1S/C12H14N4O2S/c17-16(18)10-5-3-4-9(8-10)11-13-12(19)15-7-2-1-6-14(11)15/h3-5,8,11H,1-2,6-7H2,(H,13,19)
InChIKey NYJAOUVWZVZSQH-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.bmc.2013.05.064
Molecular Weight 278.330 g/mol
SMILES N1C(N2N(C1c1cccc(c1)[N+](=O)[O-])CCCC2)=S
SPLASH splash10-0570-9250000000-f43346643b509dca580a
Source of Spectrum G2-21-5527-2n
Wiley ID 1754142