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N,N'-Bis(9-fluorenylmethyloxycarbonyl)-L-histidine
SpectraBase Compound ID ImCX6bSgWtd
InChI InChI=1S/C36H29N3O6/c40-34(41)33(38-35(42)44-19-31-27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)17-22-18-39(21-37-22)36(43)45-20-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,18,21,31-33H,17,19-20H2,(H,38,42)(H,40,41)/t33-/m0/s1
InChIKey WTBXFPFCUZKREB-XIFFEERXSA-N
Mol Weight 599.6 g/mol
Molecular Formula C36H29N3O6
Exact Mass 599.205636 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3xkCR1WY75h
Name N,N'-Bis(9-fluorenylmethyloxycarbonyl)-L-histidine
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H62932
Lot Number 81300571
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 0.270452
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 -1787
Backward Peak Location 7370
Beam Splitter Setting KBr
CAS Registry Number 98929-98-7
Color Properties White to off white
Container ID C-009927
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 C36H29N3O6
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/C36H29N3O6/c40-34(41)33(38-35(42)44-19-31-27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)17-22-18-39(21-37-22)36(43)45-20-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,18,21,31-33H,17,19-20H2,(H,38,42)(H,40,41)/t33-/m0/s1
InChIKey WTBXFPFCUZKREB-XIFFEERXSA-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 599.643 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1872
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 95%
Relative Humidity Interferometer 0 %
Resolution 4
SKU H62932-1G
SMILES N([C@](C(O)=O)(Cc1nc[n](c1)C(OCC1c2ccccc2-c2ccccc12)=O)[H])C(OCC1c2ccccc2-c2ccccc12)=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 27.295 s
Scanner Temperature 27.9 °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 N,1-Di-Fmoc-L-histidine
Technique ATR-Neat
Zero Filling Factor 4