| SpectraBase Spectrum ID |
7CUGEBivCRs |
| Name |
ab-Fubinaca (N-4-fluorobenzyl) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.202382417 u |
| Formula |
C27H26F2N4O2 |
| InChI |
InChI=1S/C27H26F2N4O2/c1-17(2)24(26(34)30-15-18-7-11-20(28)12-8-18)31-27(35)25-22-5-3-4-6-23(22)33(32-25)16-19-9-13-21(29)14-10-19/h3-14,17,24H,15-16H2,1-2H3,(H,30,34)(H,31,35)/t24-/m0/s1 |
| InChIKey |
ZGWAMJLQYVTBSC-DEOSSOPVSA-N |
| Molecular Weight |
476.528 g/mol |
| SMILES |
C=1(C=2C(N(N1)CC=1C=CC(=CC1)F)=CC=CC2)C(N[C@](C(NCC=1C=CC(=CC1)F)=O)(C(C)C)[H])=O |
