| SpectraBase Spectrum ID |
4xL6MKZ8s1a |
| Name |
Phenol, 4-bromo-2-(3,7-dimethyl-2,6-octadienyl)- (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.077578295 u |
| Formula |
C16H21BrO |
| InChI |
InChI=1S/C16H21BrO/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3/b13-7- |
| InChIKey |
PBNUEAOLMPSCQM-QPEQYQDCSA-N |
| Molecular Weight |
309.247 g/mol |
| SMILES |
C1(O)=CC=C(C=C1C\C=C/(CCC=C(C)C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840913 |
