SpectraBase Compound ID | CbPXmwrEZjG |
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InChI | InChI=1S/C15H10BrNO2/c16-12-7-3-4-8-13(12)17-14(18)9-10-5-1-2-6-11(10)15(17)19/h1-8H,9H2 |
InChIKey | NTHUUXAHNAJLIJ-UHFFFAOYSA-N |
Mol Weight | 316.15 g/mol |
Molecular Formula | C15H10BrNO2 |
Exact Mass | 314.989492 g/mol |
SpectraBase Spectrum ID | 9hVBQRuR3P |
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Name | 2-(2-Bromophenyl)-4H-isoquinoline-1,3-dione |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 314.989491564 u |
Formula | C15H10BrNO2 |
InChI | InChI=1S/C15H10BrNO2/c16-12-7-3-4-8-13(12)17-14(18)9-10-5-1-2-6-11(10)15(17)19/h1-8H,9H2 |
InChIKey | NTHUUXAHNAJLIJ-UHFFFAOYSA-N |
Molecular Weight | 316.154 g/mol |
SMILES | C1(N(C(CC=2C=CC=CC12)=O)C=1C(=CC=CC1)Br)=O |