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3-Benzylamino-8a(R)-hydroxy-1,8a-dihydro-7,8-diphenyl-1,2,4-triazolo[4,3-b]pyridazine-6-thione
SpectraBase Compound ID 7SYp3ekEhNf
InChI InChI=1S/C24H21N5OS/c30-24-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22(31)27-29(24)23(26-28-24)25-16-17-10-4-1-5-11-17/h1-15,28,30H,16H2,(H,25,26)(H,27,31)/t24-/m1/s1
InChIKey NCBDAFCAWCYGTO-XMMPIXPASA-N
Mol Weight 427.53 g/mol
Molecular Formula C24H21N5OS
Exact Mass 427.146681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mzcXLmJkdH
Name 3-Benzylamino-8a(R)-hydroxy-1,8a-dihydro-7,8-diphenyl-1,2,4-triazolo[4,3-b]pyridazine-6-thione
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N5OS
InChI InChI=1S/C24H21N5OS/c30-24-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22(31)27-29(24)23(26-28-24)25-16-17-10-4-1-5-11-17/h1-15,28,30H,16H2,(H,25,26)(H,27,31)/t24-/m1/s1
InChIKey NCBDAFCAWCYGTO-XMMPIXPASA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.e01
Molecular Weight 427.526 g/mol
SMILES N1N2[C@@](C(=C(C1=S)c1ccccc1)c1ccccc1)(NN=C2NCc1ccccc1)O
SPLASH splash10-004i-4152900000-e381a2f2864bc9db292a
Source of Spectrum ARK-2007-8-3c
Wiley ID 1868869