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Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-tele-(triphenylmethyl)-D-histidine
SpectraBase Compound ID 9jHvms6Ykws
InChI InChI=1S/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-43(27-41-31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m1/s1
InChIKey XXMYDXUIZKNHDT-DIPNUNPCSA-N
Mol Weight 619.7 g/mol
Molecular Formula C40H33N3O4
Exact Mass 619.247107 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID JEFzE4xqb4M
Name Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-tele-(triphenylmethyl)-D-histidine
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number F1145
Lot Number QW7FD-BT
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 0.270348
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 -1808
Backward Peak Location 7370
Beam Splitter Setting KBr
CAS Registry Number 135610-90-1
Color Properties White- pale reddish yellow
Container ID C-009730
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 C40H33N3O4
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/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-43(27-41-31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m1/s1
InChIKey XXMYDXUIZKNHDT-DIPNUNPCSA-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 619.721 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1821
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 97%
Relative Humidity Interferometer 20 %
Resolution 4
SKU F1145-1G
SMILES N([C@@](C(O)=O)(Cc1nc[n](c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)[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 27.309 s
Scanner Temperature 28.1 °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-[(9H-Fluoren-9-yl-methoxy)carbonyl]-1-trityl-D-histidine
Technique ATR-Neat
Zero Filling Factor 4