SpectraBase Compound ID | Abz6XJat9ut |
---|---|
InChI | InChI=1S/C22H20Br4N10O3.2ClH/c23-9-7-12(31-15(9)25)17(37)29-5-1-3-11-14(34-20(27)33-11)22(19(39)35-21(28)36-22)4-2-6-30-18(38)13-8-10(24)16(26)32-13;;/h1-4,7-8,31-32H,5-6H2,(H,29,37)(H,30,38)(H3,27,33,34)(H3,28,35,36,39);2*1H/b3-1+,4-2+;;/t22-;;/m1../s1 |
InChIKey | ZVFCIERWNXNYPL-QSRFCXPSSA-N |
Mol Weight | 865.01 g/mol |
Molecular Formula | C22H22Br4Cl2N10O3 |
Exact Mass | 859.798692 g/mol |
Parent InChIKey | AACKLUYHFHIQSO-OMVZTBPASA-N |
Enantiomer InChIKey | ZVFCIERWNXNYPL-KMIGEAEBSA-N |
Racemate InChIKey | ZVFCIERWNXNYPL-UFVDJLLLSA-N |
Title | Journal or Book | Year |
---|---|---|
Unusually Large 13C NMR Chemical Shift Differences between Neutral and Protonated Glycocyamidines. New Insights on Previously Reported Chemical Shift Assignments and Chemical Properties | The Journal of Organic Chemistry | 1998 |
This compound is available in the following databases:
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
Search your unknown spectrum against the world's largest collection of reference spectra
KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.