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

*Links on SpectraBase are not permalinks.
4-methyl-1,3-N,N'-phenylen-bis-1-chlorobenzo[b]thiophene-2-carboxamide
SpectraBase Compound ID HFdQCqIKShQ
InChI InChI=1S/C25H16Cl2N2O2S2/c1-13-10-11-14(28-24(30)22-20(26)15-6-2-4-8-18(15)32-22)12-17(13)29-25(31)23-21(27)16-7-3-5-9-19(16)33-23/h2-12H,1H3,(H,28,30)(H,29,31)
InChIKey XNROHRVJTPHVAN-UHFFFAOYSA-N
Mol Weight 511.44 g/mol
Molecular Formula C25H16Cl2N2O2S2
Exact Mass 510.003026 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 81rjIerGln2
Name 4-methyl-1,3-N,N'-phenylen-bis-1-chlorobenzo[b]thiophene-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16Cl2N2O2S2
InChI InChI=1S/C25H16Cl2N2O2S2/c1-13-10-11-14(28-24(30)22-20(26)15-6-2-4-8-18(15)32-22)12-17(13)29-25(31)23-21(27)16-7-3-5-9-19(16)33-23/h2-12H,1H3,(H,28,30)(H,29,31)
InChIKey XNROHRVJTPHVAN-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290091208
Molecular Weight 511.441 g/mol
SMILES N(C(c1c(c2c(cccc2)s1)Cl)=O)c1ccc(c(c1)NC(=O)c1sc2ccccc2c1Cl)C
SPLASH splash10-0002-0900000000-02a2b3b88220bb9bb815
Source of Spectrum RCM-9-1120-2
Wiley ID 1835788