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

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

N-carboxy-L-histidine, N-tert-butyl ester
SpectraBase Compound ID FcGEERKgETU
InChI InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChIKey AYMLQYFMYHISQO-UHFFFAOYSA-N
Mol Weight 255.27 g/mol
Molecular Formula C11H17N3O4
Exact Mass 255.121906 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7522YPGII3b
Name N-CARBOXY-L-HISTIDINE, N-tert-BUTYL ESTER
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Catalog Number 15426
CAS Registry Number 17791-52-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17N3O4
InChI InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChIKey AYMLQYFMYHISQO-UHFFFAOYSA-N
Melting Point ~195C (dec.)
Molecular Weight 255.274002
Optical Properties Optical Rotation= (20C) +31 +/- 1 DEG
Synonyms HISTIDINE, N-CARBOXY-, N-TERT-BUTYL ESTER, L-,
Technique KBr WAFER