SpectraBase Spectrum ID |
EugnxaF04CQ |
Name |
Benzene, 1,4-bis(2-bromo-1-methylethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.961876515 u |
Formula |
C12H16Br2 |
InChI |
InChI=1S/C12H16Br2/c1-9(7-13)11-3-5-12(6-4-11)10(2)8-14/h3-6,9-10H,7-8H2,1-2H3 |
InChIKey |
RBVWOCYVYGOBAB-UHFFFAOYSA-N |
Molecular Weight |
320.068 g/mol |
SMILES |
CC(CBr)C1=CC=C(C(CBr)C)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950931 |