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3,5-Dinitro-L-tyrosine monohydrate

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

3,5-Dinitro-L-tyrosine monohydrate
SpectraBase Compound ID 1VZ1Xivy7WH
InChI InChI=1S/C9H9N3O7.O/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19;/h2-3,5,13H,1,10H2,(H,14,15);/t5-;/m0./s1
InChIKey MTORKLYZTLCLQE-JEDNCBNOSA-N
Mol Weight 287.18 g/mol
Molecular Formula C9H9N3O8
Exact Mass 287.038964 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DcJ1ekulaFZ
Name 3,5-Dinitro-L-tyrosine monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 375780
CAS Registry Number 71876-88-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O8
InChI InChI=1S/C9H9N3O7.O/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19;/h2-3,5,13H,1,10H2,(H,14,15);/t5-;/m0./s1
InChIKey MTORKLYZTLCLQE-JEDNCBNOSA-N
Observed nucleus 1H
Purity 97%
Solvent D2O
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3,5-DINITROTYROSINE HYDRATE SCHEMBL6956677
Wiley ID SIAL_1HNMR_008027