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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID Blnk3bLOmXT
Name 4-Nitro-L-phenylalanine hydrate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number N0682
Lot Number GK01 -FAMS
CAS Registry Number 207591-86-4
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O5
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
Instrument Name Bruker Tensor 27 FT-IR
Physical State Solid
Purity >98%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)