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N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-threonine monohydrate
SpectraBase Compound ID GG9TWV07Bcq
InChI InChI=1S/C19H19NO5.H2O/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23);1H2/t11-,17+;/m1./s1
InChIKey CGNQPFAECJFQNV-NRNQBQMASA-N
Mol Weight 359.38 g/mol
Molecular Formula C19H21NO6
Exact Mass 359.136887 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID DTPO8Zqv5ju
Name N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-threonine monohydrate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number F0455
Lot Number FHM01-TAGG
Accessory DuraSample IR #145404C7
Acquisition Mode double sided, forward-backward
Actual Signal Gain 8
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.270482
Analog Signal 2 0
Aperture Setting 6 mm
Apodization Function Norton-Beer, medium
Background Measurement Channel Sample Compartment
Background Peak Amplitude 2nd Channel 1
Background Peak Location 2nd Channel 1
Background Rotations 32
Background Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -1816
Backward Peak Location 7372
Beam Splitter Setting KBr
CAS Registry Number 73731-37-0
Color Properties White-pale yellow
Container ID C-009415
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 1 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C19H21NO6
Frequency of First Point 3998.34 cm⁻¹
Frequency of Last Point 339.463 cm⁻¹
High Folding Limit 15800.5
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C19H19NO5.H2O/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23);1H2/t11-,17+;/m1./s1
InChIKey CGNQPFAECJFQNV-NRNQBQMASA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Measurement Channel Sample Compartment
Molecular Weight 359.378 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1917
Peak Amplitude 2nd Channel 1
Peak Location 7364
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Liquid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 10 %
Resolution 4
SKU F0455-1G
SMILES O.OC([C@]([C@@](C)(O)[H])(NC(OCC1c2ccccc2-c2ccccc12)=O)[H])=O
Sample Comments Sample ground at metal edge of ATR
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.306 s
Scanner Temperature 29.4 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Signal Gain, Sample automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms Fmoc-L-Threonine monohydrate
Technique ATR-Neat
Zero Filling Factor 4