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N-carboxy-1-(2,4-dinitrophenyl)-L-histidine, N-tert-butyl ester

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

N-carboxy-1-(2,4-dinitrophenyl)-L-histidine, N-tert-butyl ester
SpectraBase Compound ID 6gSR0ixy4wI
InChI InChI=1S/C17H19N5O8/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24)
InChIKey KPGVUOQMOHGHEW-UHFFFAOYSA-N
Mol Weight 421.37 g/mol
Molecular Formula C17H19N5O8
Exact Mass 421.123363 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4STP671K1MA
Name N-CARBOXY-1-(2,4-DINITROPHENYL)-L-HISTIDINE, N-tert-BUTYL ESTER
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Catalog Number 15389
CAS Registry Number 25024-53-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N5O8
InChI InChI=1S/C17H19N5O8/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24)
InChIKey KPGVUOQMOHGHEW-UHFFFAOYSA-N
Melting Point 95-96C (dec.)
Molecular Weight 421.365997
Optical Properties Optical Rotation= (20C) +65 +/- 2 DEG (c=1, ETHANOL)
Synonyms HISTIDINE, N-CARBOXY-1-/2,4-DI- NITROPHENYL/-, N-TERT-BUTYL ESTER, L-,
Technique KBr WAFER