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

*Links on SpectraBase are not permalinks.

trans,trans-1,4-Bis(2-nitrophenyl)-1,3-butadiene monohydrate

View entire compound with spectra: 2 NMR, and 1 FTIR

trans,trans-1,4-Bis(2-nitrophenyl)-1,3-butadiene monohydrate
SpectraBase Compound ID KXWjoOMhBHX
InChI InChI=1S/C16H12N2O4.O/c19-17(20)15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18(21)22;/h1-12H;/b7-1+,8-2+;
InChIKey NPJWEZVVIRAMGE-SFEXJBTNSA-N
Mol Weight 312.28 g/mol
Molecular Formula C16H12N2O5
Exact Mass 312.074621 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID J84UetYEeyy
Name trans,trans-1,4-Bis(2-nitrophenyl)-1,3-butadiene monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 364185
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O5
InChI InChI=1S/C16H12N2O4.O/c19-17(20)15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18(21)22;/h1-12H;/b7-1+,8-2+;
InChIKey NPJWEZVVIRAMGE-SFEXJBTNSA-N
Observed nucleus 1H
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_007573