| SpectraBase Spectrum ID |
3vOsEjLX4tB |
| Name |
alanine, N-(2-benzothiazolyl)-3,3,3-trifluoro-2-[(4-methylbenzoyl)amino]-, methyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.086447047 u |
| Formula |
C19H16F3N3O3S |
| InChI |
InChI=1S/C19H16F3N3O3S/c1-11-7-9-12(10-8-11)15(26)24-18(16(27)28-2,19(20,21)22)25-17-23-13-5-3-4-6-14(13)29-17/h3-10H,1-2H3,(H,23,25)(H,24,26) |
| InChIKey |
HXMLKZZERUWFBL-UHFFFAOYSA-N |
| Molecular Weight |
423.410 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13054 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10301022; Lab Info: AU; Lab Number: AU-Z000425 |
![alanine, N-(2-benzothiazolyl)-3,3,3-trifluoro-2-[(4-methylbenzoyl)amino]-, methyl ester](/api/spectrum/3vOsEjLX4tB/structure.png?h=300&w=458 "alanine, N-(2-benzothiazolyl)-3,3,3-trifluoro-2-[(4-methylbenzoyl)amino]-, methyl ester")
