For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[2-(4-Bromobenzylidene)hydrazinyl]-4-(4-methoxyanilino)-6-(thien-2-yl)pyrimidine-5-carbonitrile
SpectraBase Compound ID IxS3OYSLyC0
InChI InChI=1S/C23H17BrN6OS/c1-31-18-10-8-17(9-11-18)27-22-19(13-25)21(20-3-2-12-32-20)28-23(29-22)30-26-14-15-4-6-16(24)7-5-15/h2-12,14H,1H3,(H2,27,28,29,30)/b26-14+
InChIKey XPGMPUDSQBVQOY-VULFUBBASA-N
Mol Weight 505.39 g/mol
Molecular Formula C23H17BrN6OS
Exact Mass 504.036793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3HXFTPYSVO5
Name 2-[2-(4-Bromobenzylidene)hydrazinyl]-4-(4-methoxyanilino)-6-(thien-2-yl)pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17BrN6OS
InChI InChI=1S/C23H17BrN6OS/c1-31-18-10-8-17(9-11-18)27-22-19(13-25)21(20-3-2-12-32-20)28-23(29-22)30-26-14-15-4-6-16(24)7-5-15/h2-12,14H,1H3,(H2,27,28,29,30)/b26-14+
InChIKey XPGMPUDSQBVQOY-VULFUBBASA-N
Instrument Name Shimadzu GCMS Qp-2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100177
Molecular Weight 505.394 g/mol
SMILES N(c1ccc(cc1)OC)c1c(c(nc(n1)N\N=C\c1ccc(cc1)Br)-c1sccc1)C#N
SPLASH splash10-0pi0-3207290000-24716b591470bc0fb1b1
Source of Spectrum APC-354-SM33-3b
Wiley ID 1851395