| SpectraBase Spectrum ID |
B3VEQo4j5aS |
| Name |
trans-methyl-3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromene-6-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16F3NO3 |
| InChI |
InChI=1S/C21H16F3NO3/c1-27-21(26)13-6-10-7-18(25)20(14-8-16(23)17(24)9-15(14)22)28-19(10)12-5-3-2-4-11(12)13/h2-6,8-9,18,20H,7,25H2,1H3/t18-,20+/m0/s1 |
| InChIKey |
KRZOFPPFNBAWMW-AZUAARDMSA-N |
| Instrument Name |
Waters GCT Premier |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/cjoc.202000342 |
| Molecular Weight |
387.358 g/mol |
| Reported Formula |
C21H16F3NO3 |
| SMILES |
N[C@@]1([C@@](c2cc(c(cc2F)F)F)(Oc2c(C1)cc(c1c2cccc1)C(=O)OC)[H])[H] |
| SPLASH |
splash10-03k9-0912000000-db58fc7558bc822d8c62 |
| Source of Spectrum |
CJC-39-SM44-17d |
| Wiley ID |
1856197 |
![trans-methyl-3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromene-6-carboxylate](/api/spectrum/B3VEQo4j5aS/structure.png?h=300&w=458 "trans-methyl-3-amino-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-benzo[h]chromene-6-carboxylate")
