| SpectraBase Spectrum ID |
BoftD3KdPGa |
| Name |
3,5-Dibromophloretic acid, 2',4'-dinitrophenyl(ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.885476663 u |
| Formula |
C15H10Br2N2O7 |
| InChI |
InChI=1S/C15H10Br2N2O7/c16-10-5-8(6-11(17)15(10)21)1-4-14(20)26-13-3-2-9(18(22)23)7-12(13)19(24)25/h2-3,5-7,21H,1,4H2 |
| InChIKey |
IJSXWJBHIMTLMZ-UHFFFAOYSA-N |
| Molecular Weight |
490.060 g/mol |
| SMILES |
C1=C(C=C(C(=C1Br)O)Br)CCC(=O)OC1=CC=C(C=C1N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855653 |
