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Phosphonoacetic acid, 1-tert-butyl dimethyl ester
SpectraBase Compound ID 3AUlGtbByOP
InChI InChI=1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3
InChIKey SAZYDWOWLRDDRQ-UHFFFAOYSA-N
Mol Weight 224.19 g/mol
Molecular Formula C8H17O5P
Exact Mass 224.081361 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8f5yS4g0P7d
Name tert-Butyl dimethylphosphonoacetate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number B5094
Lot Number CO4EH-AB
Accessory TRANS *14560FA0
Acquisition Mode double sided, forward-backward
Actual Signal Gain 2
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 0
Analog Signal 1 0.270533
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 Scans 16
Background Scans or Time Scans
Backward Peak Amplitude -7878
Backward Peak Location 14480
Beam Splitter Setting KBr
CAS Registry Number 62327-21-3
Color Properties Colorless
Container ID C-010461
Copyright Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 0 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C8H17O5P
Frequency of First Point 3999.76 cm⁻¹
Frequency of Last Point 339.943 cm⁻¹
High Folding Limit 15800.4
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3
InChIKey SAZYDWOWLRDDRQ-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.4 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 224.193 g/mol
Non Linearity Correction 0
Number of Points 15181
Number of Sample Scans 16
Optical Filter Setting Open
Peak Amplitude -7656
Peak Amplitude 2nd Channel 1
Peak Location 14476
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Liquid
Preamplifier Gain Background 0
Purity >95.0%
Relative Humidity Interferometer 10 %
Resolution 2
SKU B5094-5G
SMILES C(P(=O)(OC)OC)C(OC(C)(C)C)=O
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 24.992 s
Scanner Temperature 29.9 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms Dimethylphosphonoacetic acid tert-butyl ester
Technique Neat
Window KBr Window - 1 Side
Zero Filling Factor 8