| SpectraBase Spectrum ID |
2pKftaFPFNS |
| Name |
trans-3-(3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromene-6-yl)benzoic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H16F3NO3 |
| InChI |
InChI=1S/C22H16F3NO3/c23-16-10-18(25)17(24)9-15(16)21-19(26)8-14-7-12(4-5-20(14)29-21)11-2-1-3-13(6-11)22(27)28/h1-7,9-10,19,21H,8,26H2,(H,27,28)/t19-,21+/m0/s1 |
| InChIKey |
ZTDJPXGNJANVMW-PZJWPPBQSA-N |
| Instrument Name |
Waters GCT Premier |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/cjoc.202000342 |
| Molecular Weight |
399.369 g/mol |
| Reported Formula |
C22H16F3NO3 |
| SMILES |
OC(c1cc(-c2ccc3O[C@@]([C@](Cc3c2)(N)[H])(c2c(cc(c(c2)F)F)F)[H])ccc1)=O |
| SPLASH |
splash10-0w2a-0962000000-399c5690ded42e86b46b |
| Source of Spectrum |
CJC-39-SM65-31f |
| Wiley ID |
1856211 |
