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2-((3,4-Dihydronaphthalen-1(2H)-ylidene)hydrazono)-5-(4-nitrophenyl)-3-(thiophen-2-yl)-2,3-dihydro-1,3,4-thiadiazole
SpectraBase Compound ID DQ3fzriOTbx
InChI InChI=1S/C22H17N5O2S2/c28-27(29)17-12-10-16(11-13-17)21-25-26(20-9-4-14-30-20)22(31-21)24-23-19-8-3-6-15-5-1-2-7-18(15)19/h1-2,4-5,7,9-14H,3,6,8H2
InChIKey HELHALBZWWNECB-UHFFFAOYSA-N
Mol Weight 447.53 g/mol
Molecular Formula C22H17N5O2S2
Exact Mass 447.082367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAonHiBrLqn
Name 2-((3,4-Dihydronaphthalen-1(2H)-ylidene)hydrazono)-5-(4-nitrophenyl)-3-(thiophen-2-yl)-2,3-dihydro-1,3,4-thiadiazole
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N5O2S2
InChI InChI=1S/C22H17N5O2S2/c28-27(29)17-12-10-16(11-13-17)21-25-26(20-9-4-14-30-20)22(31-21)24-23-19-8-3-6-15-5-1-2-7-18(15)19/h1-2,4-5,7,9-14H,3,6,8H2
InChIKey HELHALBZWWNECB-UHFFFAOYSA-N
Instrument Name Shimadzu GCeMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2688
Molecular Weight 447.531 g/mol
SMILES c12c(cccc2)C(CCC1)=NN=C1SC(=NN1c1sccc1)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0006-9565100000-507efd4fbd8bae9d6b7a
Source of Spectrum Y-54-1176-18c
Wiley ID 1878071