SpectraBase Spectrum ID |
2tIX2FQD40k |
Name |
2,5-Dibromo-4-(decyloxy)phenol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
406.014306011 u |
Formula |
C16H24Br2O2 |
InChI |
InChI=1S/C16H24Br2O2/c1-2-3-4-5-6-7-8-9-10-20-16-12-13(17)15(19)11-14(16)18/h11-12,19H,2-10H2,1H3 |
InChIKey |
SSEJKDGLNTZULX-UHFFFAOYSA-N |
Molecular Weight |
408.174 g/mol |
SMILES |
C1(Br)=C(C=C(C(=C1)OCCCCCCCCCC)Br)O |
Spectrum/Structure Validation Score (Raman) |
0.966161 |