| SpectraBase Spectrum ID |
Fleh6E3KV4b |
| Name |
alanine, N-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3,3,3-trifluoro-2-[(2-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 |
469.062787998 u |
| Formula |
C18H14ClF6N3O3 |
| InChI |
InChI=1S/C18H14ClF6N3O3/c1-9-5-3-4-6-11(9)14(29)28-16(15(30)31-2,18(23,24)25)27-13-12(17(20,21)22)7-10(19)8-26-13/h3-8H,1-2H3,(H,26,27)(H,28,29) |
| InChIKey |
VDGPXFIRLKYAAZ-UHFFFAOYSA-N |
| Molecular Weight |
469.771 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15094 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10321959; Lab Info: AU; Lab Number: AU-Z000660 |
![alanine, N-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3,3,3-trifluoro-2-[(2-methylbenzoyl)amino]-, methyl ester](/api/spectrum/Fleh6E3KV4b/structure.png?h=300&w=458 "alanine, N-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-3,3,3-trifluoro-2-[(2-methylbenzoyl)amino]-, methyl ester")
