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3-(3-Methyl-4-nitrobenzyl)-L-histidine dihydrochloride

View entire compound with spectra: 1 FTIR

3-(3-Methyl-4-nitrobenzyl)-L-histidine dihydrochloride
SpectraBase Compound ID 36xqgsLvTmp
InChI InChI=1S/C14H16N4O4.2ClH/c1-9-4-10(2-3-13(9)18(21)22)6-17-7-11(16-8-17)5-12(15)14(19)20;;/h2-4,7-8,12H,5-6,15H2,1H3,(H,19,20);2*1H/t12-;;/m0../s1
InChIKey LLJIFPICRBHVBM-LTCKWSDVSA-N
Mol Weight 375.21 g/mol
Molecular Formula C14H16Cl2N4O4
Exact Mass 374.05486 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID DIzWSlhpyIq
Name 3-(3-Methyl-4-nitrobenzyl)-L-histidine dihydrochloride
Source of Sample Aldrich
Catalog Number 550590
CAS Registry Number 114787-84-7
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18Cl2N4O4
InChI InChI=1S/C14H16N4O4.2ClH/c1-9-4-10(2-3-13(9)18(21)22)6-17-7-11(16-8-17)5-12(15)14(19)20;;/h2-4,7-8,12H,5-6,15H2,1H3,(H,19,20);2*1H/t12-;;/m0../s1
InChIKey LLJIFPICRBHVBM-LTCKWSDVSA-N
Purity 98%
Synonyms ACMC-20mksx L-Histidine,3-[(3-methyl-4-nitrophenyl)methyl]-, dihydrochloride (9CI)
Wiley ID SIAL_ATR-IR_021318