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

*Links on SpectraBase are not permalinks.
5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione hydrate
SpectraBase Compound ID 4SsJShsbTUR
InChI InChI=1S/C4H3N3O5.H2O/c8-2-1(7(11)12)3(9)6-4(10)5-2;/h(H3,5,6,8,9,10);1H2
InChIKey XMKGTNCHOLNWBT-UHFFFAOYSA-N
Mol Weight 191.1 g/mol
Molecular Formula C4H5N3O6
Exact Mass 191.017835 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID LwcpLvdkciu
Name 5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione, hydrate
Source of Sample Sigma-Aldrich Company Llc.
Catalog Number N10705
Lot Number 10113ME
CAS Registry Number 209529-81-7
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5N3O6
InChI InChI=1S/C4H3N3O5.H2O/c8-2-1(7(11)12)3(9)6-4(10)5-2;/h(H3,5,6,8,9,10);1H2
InChIKey XMKGTNCHOLNWBT-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Physical State Solid
Purity 95%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique KBr1