10.14469/HPC/10069
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
C 14 H 25 B 1 Br 1 Cl 1 F 4 O 4
Imperial College London
2022
Results
InChI=1S/C13H21BrClO3.CH4O.BF4/c1-7-3-4-9(15)5-11-10(14)6-12(18-11)13(16)8(2)17-7;1-2;2-1(3,4)5/h4,7-13,16H,3,5-6H2,1-2H3;2H,1H3;/t7-,8+,9+,10+,11+,12-,13+;;/m1../s1
QZLCUDYATCXZDB-RISVJFQWSA-N
Imperial College London
Imperial College Research Computing Service
Rzepa, Henry
Henry
Rzepa
https://orcid.org/0000-0002-8635-8390
Imperial College London
2022
https://data.hpc.imperial.ac.uk/resolve/?ore=10069
https://data.hpc.imperial.ac.uk/resolve/?doi=10069&file=1
10.14469/hpc/10062
Creative Commons Zero v1.0 Universal
6: x-ray conformation methanol TS Def2-TZVPPD BF4 ion pair, top face