SpectraBase Spectrum ID |
38Zr3NWmA6 |
Name |
2,7-Dibromo-4,5,9,10-tetrahydropyrene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
361.930576386 u |
Formula |
C16H12Br2 |
InChI |
InChI=1S/C16H12Br2/c17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12/h5-8H,1-4H2 |
InChIKey |
DECWZAKGNGDEQE-UHFFFAOYSA-N |
Molecular Weight |
364.080 g/mol |
SMILES |
C12=CC(=CC3=C2C2=C(CC1)C=C(C=C2CC3)Br)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916128 |