SpectraBase Spectrum ID |
5Fk2kWqQ0Iu |
Name |
3',5'-Dibromo-4'-hydroxynonanophenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
389.983005882 u |
Formula |
C15H20Br2O2 |
InChI |
InChI=1S/C15H20Br2O2/c1-2-3-4-5-6-7-8-14(18)11-9-12(16)15(19)13(17)10-11/h9-10,19H,2-8H2,1H3 |
InChIKey |
MDZXZMWNCFKTAI-UHFFFAOYSA-N |
Molecular Weight |
392.131 g/mol |
SMILES |
OC=1C(=CC(=CC1Br)C(CCCCCCCC)=O)Br |
Spectrum/Structure Validation Score (Raman) |
0.914854 |