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Bis(cis-3,3,5-trimethylcyclohexyl) phthalate
SpectraBase Compound ID 6E9MODAx0Y2
InChI InChI=1S/C26H38O4/c1-17-11-19(15-25(3,4)13-17)29-23(27)21-9-7-8-10-22(21)24(28)30-20-12-18(2)14-26(5,6)16-20/h7-10,17-20H,11-16H2,1-6H3/t17-,18+,19+,20-
InChIKey ATHBXDPWCKSOLE-JVSBHGNQSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9jAIHTyv0GT
Name Bis(cis-3,3,5-trimethylcyclohexyl) phthalate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number P0946
Lot Number FIGNK-EP
Acquisition Mode double sided, forward-backward
Actual Signal Gain 1
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.222559
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 2586
Backward Peak Location 28701
Beam Splitter Setting Quartz
CAS Registry Number 245652-81-7
Calibration Lamp Spectrum Correction.0
Container ID C-010458
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 C26H38O4
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/C26H38O4/c1-17-11-19(15-25(3,4)13-17)29-23(27)21-9-7-8-10-22(21)24(28)30-20-12-18(2)14-26(5,6)16-20/h7-10,17-20H,11-16H2,1-6H3/t17-,18+,19+,20-
InChIKey ATHBXDPWCKSOLE-JVSBHGNQSA-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
Non Linearity Correction 0
Number of Points 7465
Number of Sample Scans 174
Optical Filter Setting Open
Peak Amplitude 2533
Peak Amplitude 2nd Channel 1
Peak Location 28683
Peak Location 2nd Channel 1
Phase Correction Mode power spectrum
Phase Resolution 1
Physical State Solid
Preamplifier Gain 0
Purity >98.0%
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 P0946-5G
SMILES c1c(c(ccc1)C(O[C@@]1(CC(C[C@@](C1)(C)[H])(C)C)[H])=O)C(O[C@@]1(C[C@@](CC(C1)(C)C)(C)[H])[H])=O
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 2
Scan Time 794.638 s
Scanner Temperature 25.2 °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 Phthalic acid bis(cis-3,3,5-trimethylcyclohexyl) ester
Technique FT-Raman
Temperature of Calibration Lamp 2300
Zero Filling Factor 4