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4-Nitro-L-phenylalanine hydrate

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

4-Nitro-L-phenylalanine hydrate
SpectraBase Compound ID 3jfsILjdZ4v
InChI InChI=1S/C9H10N2O4.H2O/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);1H2/t8-;/m0./s1
InChIKey OLZDHJRNUIXKLU-QRPNPIFTSA-N
Mol Weight 228.2 g/mol
Molecular Formula C9H12N2O5
Exact Mass 228.074621 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7QfZWHEdhfw
Name L-3-(p-NITROPHENYL)ALANINE, HYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 949-99-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10N2O4 H2O
InChI InChI=1S/C9H10N2O4.H2O/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);1H2/t8-;/m0./s1
InChIKey OLZDHJRNUIXKLU-QRPNPIFTSA-N
Molecular Weight 228.21
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20