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N-(tert-Butoxycarbonyl)-L-isoleucine Hemihydrate

View entire compound with spectra: 1 FTIR

N-(tert-Butoxycarbonyl)-L-isoleucine Hemihydrate
SpectraBase Compound ID CNwOxeKXUOB
InChI InChI=1S/2C11H21NO4.H2O/c2*1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;/h2*7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t2*7-,8-;/m00./s1
InChIKey NYGJSARLXBZKTA-AQHOMMPKSA-N
Mol Weight 240.299 g/mol
Molecular Formula C11H21NO4·½H2O
Exact Mass 240.15234 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID ApBWOqD57wJ
Name N-(tert-Butoxycarbonyl)-L-isoleucine Hemihydrate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H37050
Lot Number 1078620
CAS Registry Number 204138-23-8
Color Properties White
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44N2O9
InChI InChI=1S/2C11H21NO4.H2O/c2*1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;/h2*7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t2*7-,8-;/m00./s1
InChIKey NYGJSARLXBZKTA-AQHOMMPKSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 480.599 g/mol
Physical State Solid
Purity 98+%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)