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O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium hexafluorophosphate
SpectraBase Compound ID ENXjyEESAIo
InChI InChI=1S/C10H17N4O3.F6P/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;1-7(2,3,4,5)6/h6H2,1-5H3;/q+1;-1/b12-8+;
InChIKey RKTBAMPZUATMIO-MXZHIVQLSA-N
Mol Weight 386.24 g/mol
Molecular Formula C10H17F6N4O3P
Exact Mass 386.094246 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6VUvwFTzdbL
Name O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium hexafluorophosphate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number E1306
Lot Number ICN3F-NA
Acquisition Mode double sided, forward-backward
Actual Signal Gain 2
Additional Data Treatment 1
Aperture Setting 2.5 mm
Apodization Function Norton-Beer, medium
Backward Peak Amplitude 990
Backward Peak Location 28691
Beam Splitter Setting Quartz
CAS Registry Number 333717-40-1
Calibration Lamp Spectrum Correction.0
Color Properties White
Container ID C-009716
Copyright Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 15 s
Detector Setting LN-Ge Diode [Internal Pos.2]
End Frequency Limit for File 9394.3
External Analog Signals Off
External Synchronization Off
Focal Length 100
Formula C10H17F6N4O3P
Frequency of First Point 3597.79 cm⁻¹
Frequency of Last Point -1.31092 cm⁻¹
High Folding Limit 31596.8
High Frequency Limit 30000 cm⁻¹
High Pass Filter 1
InChI InChI=1S/C10H17N4O3.F6P/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;1-7(2,3,4,5)6/h6H2,1-5H3;/q+1;-1/b12-8+;
InChIKey RKTBAMPZUATMIO-MXZHIVQLSA-N
Instrument Name Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Laser Wavenumber 15798.4 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 5
Measurement Channel Raman Compartment
Molecular Weight 386.235 g/mol
Non Linearity Correction 0
Number of Points 7466
Number of Sample Scans 40
Optical Filter Setting Open
Peak Amplitude 955
Peak Location 28692
Phase Correction Mode power spectrum
Phase Resolution 1
Physical State Solid
Preamplifier Gain 0
Purity 98%
Raman Background Corrected Yes
Raman Corrections Referenced to internal light source; Scattering corrected
Raman Laser Source Nd:YAG
Raman Scattering Corrected Yes
Resolution 2
SKU E1306-1G
SMILES F[P-](F)(F)(F)(F)F.CCOC(\C(=N\OC(=[N+](C)C)N(C)C)C#N)=O
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 2
Scan Time 0 s
Scanner Velocity 5 kHz
Signal Gain, Sample 2
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 5794.76 cm⁻¹
Synonyms 6-Cyano-N,N,2-trimethyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-aminium hexafluorophosphate
Technique FT-Raman
Zero Filling Factor 4