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4-Nitro-L-phenylalanine monohydrate

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

4-Nitro-L-phenylalanine monohydrate
SpectraBase Compound ID 5ARzg0iGww0
InChI InChI=1S/C9H10N2O4.O/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);/t8-;/m0./s1
InChIKey XSRTYRBODJKMCG-QRPNPIFTSA-N
Mol Weight 226.19 g/mol
Molecular Formula C9H10N2O5
Exact Mass 226.058971 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9JZuDoklHdT
Name 4-Nitro-L-phenylalanine monohydrate
Source of Sample Aldrich
Catalog Number 360279
CAS Registry Number 207591-86-4
Classification Aromatic amino acids and acid salts
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O5
InChI InChI=1S/C9H10N2O4.O/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);/t8-;/m0./s1
InChIKey XSRTYRBODJKMCG-QRPNPIFTSA-N
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 5-Bromo-N,N-dimethyltryptamine 5-Bromo-3-[2-(N,N-dimethylamino)ethyl]-1H-indole
Technique Mull
Wiley ID SIAL_FTIR_1_7267