| SpectraBase Spectrum ID |
A9zU0ivNGnA |
| Name |
3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate |
| Source of Sample |
TCI Chemicals India Pvt. Ltd. |
| Catalog Number |
D1817 |
| Lot Number |
WOJKG-SH |
| 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 |
0.270562 |
| 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 |
-1345 |
| Backward Peak Location |
7371 |
| Beam Splitter Setting |
KBr |
| CAS Registry Number |
555-30-6 |
| Color Properties |
White |
| Container ID |
C-010360 |
| 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 |
C10H16NO5.5 |
| 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/2C10H13NO4.3H2O/c2*1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;;;/h2*2-4,12-13H,5,11H2,1H3,(H,14,15);3*1H2/t2*10-;;;/m00.../s1 |
| InChIKey |
YKFCISHFRZHKHY-NGQGLHOPSA-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 |
| Non Linearity Correction |
0 |
| Number of Points |
3795 |
| Number of Sample Scans |
32 |
| Optical Filter Setting |
Open |
| Peak Amplitude |
-1484 |
| Peak Amplitude 2nd Channel |
1 |
| Peak Location |
7365 |
| Peak Location 2nd Channel |
1 |
| Phase Correction Mode |
Mertz |
| Phase Resolution |
8 |
| Preamplifier Gain |
3 |
| Preamplifier Gain Background |
0 |
| Purity |
>98.0% |
| Relative Humidity Interferometer |
0 % |
| Resolution |
4 |
| SKU |
D1817-5G |
| SMILES |
O.OC([C@](Cc1cc(c(cc1)O)O)(N)C)=O |
| Sample Rotations |
32 |
| Sample Scans or Time |
Scans |
| Sample Spacing Divisor |
1 |
| Sample Spacing Multiplicator |
1 |
| Scan Time |
27.299 s |
| Scanner Temperature |
29.8 °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 |
Methyldopa sesquihydrate;
α-Methyl-L-DOPA sesquihydrate;
(2S)-2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid sesqihydrate |
| Technique |
ATR-Neat |
| Zero Filling Factor |
4 |
