| SpectraBase Spectrum ID |
KiCnnIzv52J |
| Name |
Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate |
| Source of Sample |
Alfa Aesar, Thermo Fisher Scientific |
| Catalog Number |
H27506 |
| Lot Number |
10139101 |
| 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 |
3146 |
| Backward Peak Location |
28687 |
| Beam Splitter Setting |
Quartz |
| CAS Registry Number |
175137-35-6 |
| Calibration Lamp Spectrum |
Correction.0 |
| Color Properties |
Pale yellow |
| Container ID |
C-009899 |
| 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 |
C13H10F3N3O4 |
| 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/C13H10F3N3O4/c1-2-23-12(20)10-7-17-18(11(10)13(14,15)16)8-3-5-9(6-4-8)19(21)22/h3-7H,2H2,1H3 |
| InChIKey |
QNUASRIZVSLLGS-UHFFFAOYSA-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 |
329.235 g/mol |
| Non Linearity Correction |
0 |
| Number of Points |
7466 |
| Number of Sample Scans |
254 |
| Optical Filter Setting |
Open |
| Peak Amplitude |
-3087 |
| Peak Location |
28693 |
| Phase Correction Mode |
power spectrum |
| Phase Resolution |
1 |
| Physical State |
Solid |
| Preamplifier Gain |
0 |
| Purity |
97% |
| 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 |
H27506-1G |
| SMILES |
FC(F)(F)c1[n](-c2ccc(cc2)N(=O)=O)ncc1C(=O)OCC |
| 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 |
1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl ester |
| Technique |
FT-Raman |
| Zero Filling Factor |
4 |
