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

*Links on SpectraBase are not permalinks.
2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-N-(3-nitrophenyl)acetamide
SpectraBase Compound ID 68HvQfmFPFl
InChI InChI=1S/C19H18N6O5S/c26-18(20-13-2-1-3-14(10-13)24(27)28)12-22-6-8-23(9-7-22)19-21-16-5-4-15(25(29)30)11-17(16)31-19/h1-5,10-11H,6-9,12H2,(H,20,26)
InChIKey MNPFVXOXOSYINB-UHFFFAOYSA-N
Mol Weight 442.45 g/mol
Molecular Formula C19H18N6O5S
Exact Mass 442.105939 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 JigRNHWTyyY
Name 2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-N-(3-nitrophenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N6O5S
InChI InChI=1S/C19H18N6O5S/c26-18(20-13-2-1-3-14(10-13)24(27)28)12-22-6-8-23(9-7-22)19-21-16-5-4-15(25(29)30)11-17(16)31-19/h1-5,10-11H,6-9,12H2,(H,20,26)
InChIKey MNPFVXOXOSYINB-UHFFFAOYSA-N
Molecular Weight 442.450 g/mol
SMILES N(C(CN1CCN(c2nc3ccc(N(=O)=O)cc3s2)CC1)=O)c1cc(N(=O)=O)ccc1
SPLASH splash10-05e9-9680000000-2532cac9fc8712337cd6
Synonyms 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(3-nitrophenyl)ethanamide 2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-N-(3-nitrophenyl)acetamide
Wiley ID 1454578