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N-carboxy-L-histidine, N-tert-butyl ester

View entire compound with spectra: 1 NMR

N-carboxy-L-histidine, N-tert-butyl ester
SpectraBase Compound ID 6tP3pbWWTIk
InChI InChI=1S/2C11H17N3O4.Na/c2*1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7;/h2*5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16);/q;;+1/p-1
InChIKey FMDRPNGSYFSRLL-UHFFFAOYSA-M
Mol Weight 532.53 g/mol
Molecular Formula C22H33N6NaO8
Exact Mass 532.225756 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 49D2agQyuBN
Name N-CARBOXY-L-HISTIDINE, N-tert-BUTYL ESTER
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 17791-52-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17N3O4
InChI InChI=1S/2C11H17N3O4.Na/c2*1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7;/h2*5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16);/q;;+1/p-1
InChIKey FMDRPNGSYFSRLL-UHFFFAOYSA-M
Molecular Weight 255.28
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20