| SpectraBase Spectrum ID |
1xzkg08irwf |
| Name |
trans-6-(3-(1H-tetrazol-5-yl)phenyl)-2-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-chromene-3-amine |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H16F3N5O |
| InChI |
InChI=1S/C22H16F3N5O/c23-16-10-18(25)17(24)9-15(16)21-19(26)8-14-7-12(4-5-20(14)31-21)11-2-1-3-13(6-11)22-27-29-30-28-22/h1-7,9-10,19,21H,8,26H2,(H,27,28,29,30)/t19-,21+/m0/s1 |
| InChIKey |
UJAITHIXLYRHQC-PZJWPPBQSA-N |
| Instrument Name |
Waters GCT Premier |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/cjoc.202000342 |
| Molecular Weight |
423.399 g/mol |
| Reported Formula |
C22H16F3N5O |
| SMILES |
[nH]1nnnc1-c1cc(-c2ccc3O[C@@]([C@](Cc3c2)(N)[H])(c2c(cc(c(c2)F)F)F)[H])ccc1 |
| SPLASH |
splash10-03k9-0961100000-80ff3472b324b2a9ae5d |
| Source of Spectrum |
CJC-39-SM67-31g |
| Wiley ID |
1856212 |
