| SpectraBase Spectrum ID |
EDGpBwEXGyB |
| Name |
Methyl 2-(3-chloropropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Source of Sample |
Alfa Aesar, Thermo Fisher Scientific |
| Catalog Number |
H33025 |
| Lot Number |
10172128 |
| Accessory |
DuraSample IR #145404C7 |
| Acquisition Mode |
double sided, forward-backward |
| Actual Signal Gain |
8 |
| Actual Signal Gain 2nd Channel |
1 |
| Additional Data Treatment |
1 |
| Analog Signal 1 |
0.27049 |
| 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 |
-1864 |
| Backward Peak Location |
7340 |
| Beam Splitter Setting |
KBr |
| CAS Registry Number |
551910-46-4 |
| Color Properties |
Pale brown |
| Container ID |
C-009750 |
| 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 |
C12H14ClNO3S |
| Frequency of First Point |
3998.34 cm⁻¹ |
| Frequency of Last Point |
339.463 cm⁻¹ |
| High Folding Limit |
15800.5 |
| High Frequency Limit |
8000 cm⁻¹ |
| High Pass Filter |
0 |
| InChI |
InChI=1S/C12H14ClNO3S/c1-17-12(16)10-7-3-2-4-8(7)18-11(10)14-9(15)5-6-13/h2-6H2,1H3,(H,14,15) |
| InChIKey |
OMCRFVOYMSUXGQ-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 |
| Measurement Channel |
Sample Compartment |
| Molecular Weight |
287.761 g/mol |
| Non Linearity Correction |
0 |
| Number of Points |
3795 |
| Number of Sample Scans |
32 |
| Optical Filter Setting |
Open |
| Peak Amplitude |
-1876 |
| Peak Amplitude 2nd Channel |
1 |
| Peak Location |
7396 |
| Peak Location 2nd Channel |
1 |
| Phase Correction Mode |
Mertz |
| Phase Resolution |
8 |
| Physical State |
Solid |
| Preamplifier Gain |
3 |
| Preamplifier Gain Background |
0 |
| Purity |
96% |
| Relative Humidity Interferometer |
0 % |
| Resolution |
4 |
| SKU |
H33025-1G |
| SMILES |
N(c1sc2CCCc2c1C(OC)=O)C(CCCl)=O |
| 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 |
27.292 s |
| Scanner Temperature |
28.8 °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 |
2-(3-Chloropropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester |
| Technique |
ATR-Neat |
| Zero Filling Factor |
4 |
![Methyl 2-(3-chloropropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate](/api/spectrum/EDGpBwEXGyB/structure.png?h=300&w=458 "Methyl 2-(3-chloropropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate")
