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N-(tert-Butoxycarbonyl)-3-benzyloxymethyl-D-histidine

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

N-(tert-Butoxycarbonyl)-3-benzyloxymethyl-D-histidine
SpectraBase Compound ID 1q613W4nxmp
InChI InChI=1S/C19H25N3O5/c1-19(2,3)27-18(25)21-16(17(23)24)9-15-10-20-12-22(15)13-26-11-14-7-5-4-6-8-14/h4-8,10,12,16H,9,11,13H2,1-3H3,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKey LPVKZCHCZSFTOJ-MRXNPFEDSA-N
Mol Weight 375.43 g/mol
Molecular Formula C19H25N3O5
Exact Mass 375.179421 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID KTM16wcnxPA
Name N-(tert-Butoxycarbonyl)-3-benzyloxymethyl-D-histidine
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H66339
Lot Number 81400953
CAS Registry Number 99310-01-7
Color Properties White to off white
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25N3O5
InChI InChI=1S/C19H25N3O5/c1-19(2,3)27-18(25)21-16(17(23)24)9-15-10-20-12-22(15)13-26-11-14-7-5-4-6-8-14/h4-8,10,12,16H,9,11,13H2,1-3H3,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKey LPVKZCHCZSFTOJ-MRXNPFEDSA-N
Instrument Name Bruker Tensor 27 FT-IR
Purity 98%
SMILES OC([C@@](Cc1[n](cnc1)COCc1ccccc1)(NC(=O)OC(C)(C)C)[H])=O
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)