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

*Links on SpectraBase are not permalinks.
4-(Di-n-propylamino)-3-(4-nitrophenylimino)-2,5-benzothiazocine-1,6-dione
SpectraBase Compound ID FY4wJutsSm2
InChI InChI=1S/C22H22N4O4S/c1-3-13-25(14-4-2)19-21(23-15-9-11-16(12-10-15)26(29)30)31-22(28)18-8-6-5-7-17(18)20(27)24-19/h5-12H,3-4,13-14H2,1-2H3/b23-21-,24-19+
InChIKey LZOGZONUTDVPCU-WLYXTFMZSA-N
Mol Weight 438.5 g/mol
Molecular Formula C22H22N4O4S
Exact Mass 438.136176 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 LWrSYVPTfJr
Name 4-(Di-n-propylamino)-3-(4-nitrophenylimino)-2,5-benzothiazocine-1,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N4O4S
InChI InChI=1S/C22H22N4O4S/c1-3-13-25(14-4-2)19-21(23-15-9-11-16(12-10-15)26(29)30)31-22(28)18-8-6-5-7-17(18)20(27)24-19/h5-12H,3-4,13-14H2,1-2H3/b23-21-,24-19+
InChIKey LZOGZONUTDVPCU-WLYXTFMZSA-N
Molecular Weight 438.502 g/mol
SMILES C1(S\C(\C(=N/C(c2c1cccc2)=O)N(CCC)CCC)=N\c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-002r-0020900000-ae0d5035e8ab8b0c38f0
Source of Spectrum F-52-8436-10
Synonyms (3Z)-4-(dipropylamino)-3-[(4-nitrophenyl)imino]-1H-2,5-benzothiazocine-1,6(3H)-dione
Wiley ID 797083