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

*Links on SpectraBase are not permalinks.
6-{5-[2-(3-Nitrophenacyloxy)phenyl]-1,2,4-dithiazol-3-ylidene}-2,4-cyclohexadien-1-one
SpectraBase Compound ID 9QIeuWcwvFV
InChI InChI=1S/C22H14N2O5S2/c25-18-10-3-1-8-16(18)21-23-22(31-30-21)17-9-2-4-11-20(17)29-13-19(26)14-6-5-7-15(12-14)24(27)28/h1-12H,13H2/b21-16-
InChIKey QGXDQVKSTBDPPB-PGMHBOJBSA-N
Mol Weight 450.48 g/mol
Molecular Formula C22H14N2O5S2
Exact Mass 450.034414 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 4Hqqngy5Q
Name 6-{5-[2-(3-Nitrophenacyloxy)phenyl]-1,2,4-dithiazol-3-ylidene}-2,4-cyclohexadien-1-one
Alternate Name(s) (6Z)-6-(5-{2-[2-(3-nitrophenyl)-2-oxoethoxy]phenyl}-3H-1,2,4-dithiazol-3-ylidene)-2,4-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14N2O5S2
InChI InChI=1S/C22H14N2O5S2/c25-18-10-3-1-8-16(18)21-23-22(31-30-21)17-9-2-4-11-20(17)29-13-19(26)14-6-5-7-15(12-14)24(27)28/h1-12H,13H2/b21-16-
InChIKey QGXDQVKSTBDPPB-PGMHBOJBSA-N
Molecular Weight 450.483 g/mol
SMILES C1(C=CC=C\C1=C/1SSC(=N1)c1c(cccc1)OCC(=O)c1cc(ccc1)N(=O)=O)=O
SPLASH splash10-0f72-0490000000-fb31f1b5af36ce685d25
Source of Spectrum O1-65-1301-3
Wiley ID 1593141