| SpectraBase Spectrum ID |
5RLFkFavMky |
| Name |
3-Cyanophenyl isocyanate |
| Source of Sample |
Acros Organics |
| Catalog Number |
314180010 |
| Lot Number |
A0376575 |
| Accessory |
TRANS *14560FA0 |
| Acquisition Mode |
double sided, forward-backward |
| Actual Signal Gain |
4 |
| Actual Signal Gain 2nd Channel |
1 |
| Additional Data Treatment |
0 |
| Analog Signal 1 |
0.270339 |
| 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 |
32 |
| Background Scans or Time |
Scans |
| Backward Peak Amplitude |
-6089 |
| Backward Peak Location |
14450 |
| Beam Splitter Setting |
KBr |
| CAS Registry Number |
16413-26-6 |
| Color Properties |
Off-white to light yellow |
| Container ID |
C-008489 |
| 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 |
C8H4N2O |
| 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/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H |
| InChIKey |
NZHPVPMRNASEQK-UHFFFAOYSA-N |
| Instrument Name |
Bruker Tensor 27 FT-IR |
| Laser Wavenumber |
15800.5 cm⁻¹ |
| Low Folding Limit |
0 |
| Low Frequency Limit |
0 |
| Low Pass Filter |
10 |
| Molecular Weight |
144.133 g/mol |
| Non Linearity Correction |
0 |
| Number of Points |
15180 |
| Number of Sample Scans |
32 |
| Optical Filter Setting |
Open |
| Peak Amplitude |
-6178 |
| Peak Amplitude 2nd Channel |
1 |
| Peak Location |
14507 |
| Peak Location 2nd Channel |
1 |
| Phase Correction Mode |
Mertz |
| Phase Resolution |
4 |
| Physical State |
Solid |
| Preamplifier Gain Background |
0 |
| Purity |
97% |
| Relative Humidity Interferometer |
20 % |
| Resolution |
2 |
| SKU |
314180010-1GR |
| SMILES |
c1c(cccc1N=C=O)C#N |
| Sample Spacing Divisor |
1 |
| Sample Spacing Multiplicator |
1 |
| Scan Time |
50.046 s |
| Scanner Temperature |
27.4 °C |
| Scanner Velocity |
10 kHz |
| Signal Gain, Background |
automatic |
| Solvent |
Dichloromethane |
| Source of Spectrum |
Bio-Rad Laboratories, Inc. |
| Start Frequency Limit for File |
4000 cm⁻¹ |
| Synonyms |
3-Isocyanatobenzenecarbonitrile |
| Technique |
Film |
| Window |
KBr Window |
| Zero Filling Factor |
8 |
