| SpectraBase Spectrum ID |
51spKfTp4MI |
| Name |
1-Bromanyl-2-phenylmethoxy-3,5-di(propan-2-yl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.093228360 u |
| Formula |
C19H23BrO |
| InChI |
InChI=1S/C19H23BrO/c1-13(2)16-10-17(14(3)4)19(18(20)11-16)21-12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3 |
| InChIKey |
SCWUNHVBKQQNHV-UHFFFAOYSA-N |
| Molecular Weight |
347.296 g/mol |
| SMILES |
C=1(C(=C(Br)C=C(C1)C(C)C)OCC=1C=CC=CC1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960964 |