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ethyl 2-[[4-(4-bromophenyl)-3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]-2-(phenylhydrazono)acetate
SpectraBase Compound ID 49QS9MdjTLe
InChI InChI=1S/C30H25BrN4O4S/c1-4-39-30(36)29(35-34-22-8-6-5-7-9-22)40-28-24(18-32)23(19-10-13-21(31)14-11-19)17-25(33-28)20-12-15-26(37-2)27(16-20)38-3/h5-17,34H,4H2,1-3H3
InChIKey RLSIILQHYQCLSO-UHFFFAOYSA-N
Mol Weight 617.52 g/mol
Molecular Formula C30H25BrN4O4S
Exact Mass 616.077989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Sc5upzEBdw
Name ethyl 2-[[4-(4-bromophenyl)-3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridyl]sulfanyl]-2-(phenylhydrazono)acetate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H25BrN4O4S
InChI InChI=1S/C30H25BrN4O4S/c1-4-39-30(36)29(35-34-22-8-6-5-7-9-22)40-28-24(18-32)23(19-10-13-21(31)14-11-19)17-25(33-28)20-12-15-26(37-2)27(16-20)38-3/h5-17,34H,4H2,1-3H3
InChIKey RLSIILQHYQCLSO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3392
Molecular Weight 617.518 g/mol
SMILES N(N=C(Sc1nc(cc(-c2ccc(cc2)Br)c1C#N)-c1ccc(c(c1)OC)OC)C(OCC)=O)c1ccccc1
SPLASH splash10-014i-0000109000-8af03190cf316b4207be
Source of Spectrum Y-56-179-15
Wiley ID 1859273