| SpectraBase Spectrum ID |
KjxAlAHESUh |
| Name |
(R)-2-(4,6-Dibromo-3-hydroxy-2-oxoindole)-2,2-difluoroacetic acid-4-methylphenyl ester |
| Appearance |
Light yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H11Br2F2NO4 |
| InChI |
InChI=1S/C17H11Br2F2NO4/c1-8-2-4-10(5-3-8)26-15(24)17(20,21)16(25)13-11(19)6-9(18)7-12(13)22-14(16)23/h2-7,25H,1H3,(H,22,23)/t16-/m1/s1 |
| InChIKey |
KGQQSKLGHJOBQD-MRXNPFEDSA-N |
| Ionization Type |
EI |
| Molecular Weight |
491.083 g/mol |
| Optical Rotation |
[a]D25 = 40.0 (c = 0.21, MeOH) |
| Reported Formula |
C17H11NO4F2(79)Br2 |
| SMILES |
N1c2cc(cc(c2[C@](C1=O)(O)C(C(Oc1ccc(cc1)C)=O)(F)F)Br)Br |
| SPLASH |
splash10-0a4i-3709000000-6c7067beee5c999503fc |
| Sample Comments |
99% ee |
| Source of Spectrum |
CN102516152A |
| Wiley ID |
1844722 |
