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Dimethyl benzylmalonate
SpectraBase Compound ID 6a0uUQJyES5
InChI InChI=1S/C12H14O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey ZMYJSOIMFGAQRQ-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HMEOSYQs5xb
Name Dimethyl benzylmalonate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number D3432
Lot Number D07FG-FM
Acquisition Mode double sided, forward-backward
Actual Signal Gain 1
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.22254
Analog Signal 2 0
Aperture Setting 2.5 mm
Apodization Function Norton-Beer, medium
Background Peak Amplitude 2nd Channel 1
Background Peak Location 2nd Channel 1
Backward Peak Amplitude 2505
Backward Peak Location 28697
Beam Splitter Setting Quartz
CAS Registry Number 49769-78-0
Calibration Lamp Spectrum Correction.0
Color Properties Colorless
Container ID C-010325
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 C12H14O4
Frequency of First Point 3597.77 cm⁻¹
Frequency of Last Point -0.855506 cm⁻¹
High Folding Limit 31596.9
High Frequency Limit 30000 cm⁻¹
High Pass Filter 1
InChI InChI=1S/C12H14O4/c1-15-11(13)10(12(14)16-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey ZMYJSOIMFGAQRQ-UHFFFAOYSA-N
Instrument Name Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Laser Wavenumber 15798.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 5
Measurement Channel Raman Compartment
Molecular Weight 222.240 g/mol
Non Linearity Correction 0
Number of Points 7465
Number of Sample Scans 210
Optical Filter Setting Open
Peak Amplitude 2459
Peak Amplitude 2nd Channel 1
Peak Location 28687
Peak Location 2nd Channel 1
Phase Correction Mode power spectrum
Phase Resolution 1
Physical State Liquid
Preamplifier Gain 0
Purity >95.0%
Raman Background Corrected Yes
Raman Corrections Referenced to internal light source; Scattering corrected
Raman Laser Source Nd:YAG
Raman Scattering Corrected Yes
Relative Humidity Interferometer 30 %
Resolution 2
SKU D3432-5G
SMILES c1ccccc1CC(C(OC)=O)C(OC)=O
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 2
Scan Time 794.567 s
Scanner Temperature 24.7 °C
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 Benzylmalonic acid dimethyl ester
Technique FT-Raman
Temperature of Calibration Lamp 2300
Zero Filling Factor 4