| SpectraBase Spectrum ID |
4xF6QHQzJY5 |
| Name |
3,5-Dinitro-2-methylbenzeneboronic acid |
| Source of Sample |
Alfa Aesar, Thermo Fisher Scientific |
| Catalog Number |
H52611 |
| Lot Number |
F03Z042 |
| 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 |
0.270598 |
| 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 |
-10910 |
| Backward Peak Location |
14473 |
| Beam Splitter Setting |
KBr |
| CAS Registry Number |
24341-76-2 |
| Color Properties |
Pale yellow |
| Container ID |
C-009335 |
| Copyright |
Copyright © 2018-2024 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 |
C7H7BN2O6 |
| Frequency of First Point |
3999.54 cm⁻¹ |
| Frequency of Last Point |
339.945 cm⁻¹ |
| High Folding Limit |
15800.5 |
| High Frequency Limit |
8000 cm⁻¹ |
| High Pass Filter |
0 |
| InChI |
InChI=1S/C7H7BN2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3,11-12H,1H3 |
| InChIKey |
ZESXGHPFWNSQQV-UHFFFAOYSA-N |
| Instrument Name |
Bruker Tensor 27 FT-IR |
| KBr Capsule ID |
K-04611 |
| Laser Wavenumber |
15800.5 cm⁻¹ |
| Low Folding Limit |
0 |
| Low Frequency Limit |
0 |
| Low Pass Filter |
10 |
| Molecular Weight |
225.951 g/mol |
| Non Linearity Correction |
0 |
| Number of Points |
15180 |
| Number of Sample Scans |
32 |
| Optical Filter Setting |
Open |
| Peak Amplitude |
-10316 |
| Peak Amplitude 2nd Channel |
1 |
| Peak Location |
14483 |
| Peak Location 2nd Channel |
1 |
| Pellet ID |
P-04438 |
| Phase Correction Mode |
Mertz |
| Phase Resolution |
4 |
| Physical State |
Solid |
| Preamplifier Gain Background |
0 |
| Purity |
96% |
| Relative Humidity Interferometer |
10 % |
| Resolution |
2 |
| SKU |
H52611-1G |
| SMILES |
O=N(=O)c1cc(c(c(B(O)O)c1)C)N(=O)=O |
| Sample Capsule ID |
S-04611 |
| Sample Spacing Divisor |
1 |
| Sample Spacing Multiplicator |
1 |
| Scan Time |
50.038 s |
| Scanner Temperature |
30 °C |
| Scanner Velocity |
10 kHz |
| Signal Gain, Background |
automatic |
| Source of Spectrum |
Bio-Rad Laboratories, Inc. |
| Start Frequency Limit for File |
4000 cm⁻¹ |
| Technique |
KBr1 |
| Zero Filling Factor |
8 |
