SpectraBase Spectrum ID |
8s6SDpKoDUS |
Name |
2''-Bromomethyl-2,4:2'-4''-ter(1,3-oxazolyl)-4-carbonylic acid methyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
352.964733365 u |
Formula |
C12H8BrN3O5 |
InChI |
InChI=1S/C12H8BrN3O5/c1-18-12(17)8-5-21-11(16-8)7-4-20-10(15-7)6-3-19-9(2-13)14-6/h3-5H,2H2,1H3 |
InChIKey |
IARAOKFRRNGMBS-UHFFFAOYSA-N |
Molecular Weight |
354.116 g/mol |
SMILES |
C=1(N=C(C=2N=C(CBr)OC2)OC1)C1=NC(C(=O)OC)=CO1 |