SpectraBase Spectrum ID |
Hvg1SGYdhnV |
Name |
7-(2-Hydroxypropyl)theophylline |
Source of Sample |
TCI Chemicals India Pvt. Ltd. |
Catalog Number |
H1430 |
Lot Number |
URN7G-KF |
Accessory |
DuraSample IR #145404C7 |
Acquisition Mode |
double sided, forward-backward |
Actual Signal Gain |
16 |
Actual Signal Gain 2nd Channel |
1 |
Additional Data Treatment |
1 |
Analog Signal 1 |
0.270565 |
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 Rotations |
32 |
Background Scans |
32 |
Background Scans or Time |
Scans |
Backward Peak Amplitude |
-1407 |
Backward Peak Location |
7370 |
Beam Splitter Setting |
KBr |
CAS Registry Number |
603-00-9 |
Container ID |
C-010368 |
Copyright |
Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Data Point Format |
1 |
Delay Before Measurement |
1 s |
Detector Setting |
RT-DLaTGS [Internal] |
End Frequency Limit for File |
340 |
External Synchronization |
Off |
Focal Length |
100 |
Formula |
C10H14N4O3 |
Frequency of First Point |
3998.31 cm⁻¹ |
Frequency of Last Point |
339.461 cm⁻¹ |
High Folding Limit |
15800.4 |
High Frequency Limit |
8000 cm⁻¹ |
High Pass Filter |
0 |
InChI |
InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3 |
InChIKey |
KYHQZNGJUGFTGR-UHFFFAOYSA-N |
Instrument Name |
Bruker Tensor 27 FT-IR |
Laser Wavenumber |
15800.4 cm⁻¹ |
Low Folding Limit |
0 |
Low Frequency Limit |
0 |
Low Pass Filter |
10 |
Measurement Channel |
Sample Compartment |
Molecular Weight |
238.247 g/mol |
Non Linearity Correction |
0 |
Number of Points |
3795 |
Number of Sample Scans |
32 |
Optical Filter Setting |
Open |
Peak Amplitude |
-1402 |
Peak Amplitude 2nd Channel |
1 |
Peak Location |
7366 |
Peak Location 2nd Channel |
1 |
Phase Correction Mode |
Mertz |
Phase Resolution |
8 |
Physical State |
Solid |
Preamplifier Gain |
3 |
Preamplifier Gain Background |
0 |
Purity |
>98.0% |
Relative Humidity Interferometer |
10 % |
Resolution |
4 |
SKU |
H1430-5G |
SMILES |
OC(C[n]1cnc2N(C(N(C(c12)=O)C)=O)C)C |
Sample Comments |
Sample ground at metal edge of ATR |
Sample Rotations |
32 |
Sample Scans or Time |
Scans |
Sample Spacing Divisor |
1 |
Sample Spacing Multiplicator |
1 |
Scan Time |
27.3 s |
Scanner Temperature |
29.9 °C |
Scanner Velocity |
10 kHz |
Signal Gain, Background |
automatic |
Signal Gain, Sample |
automatic |
Source of Spectrum |
Bio-Rad Laboratories, Inc. |
Start Frequency Limit for File |
4000 cm⁻¹ |
Synonyms |
7-(2-Hydroxypropyl)-1,3-dimethylxanthine; Proxyphylline |
Technique |
ATR-Neat |
Zero Filling Factor |
4 |