| SpectraBase Spectrum ID |
1uRLpZUirC |
| Name |
1,4-Naphthalenedione, 6,7-dibromo-2,3-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.889105496 u |
| Formula |
C12H8Br2O2 |
| InChI |
InChI=1S/C12H8Br2O2/c1-5-6(2)12(16)8-4-10(14)9(13)3-7(8)11(5)15/h3-4H,1-2H3 |
| InChIKey |
TWIQUIZSKXUQFN-UHFFFAOYSA-N |
| Molecular Weight |
344.002 g/mol |
| SMILES |
C12=C(C(=O)C(=C(C2=O)C)C)C=C(C(=C1)Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966656 |
