SpectraBase Compound ID | BaUlvClAYGd |
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InChI | InChI=1S/C17H12ClNO2/c18-12-7-5-11(6-8-12)10-19-15-9-16(20)13-3-1-2-4-14(13)17(15)21/h1-9,19H,10H2 |
InChIKey | FMHPXRQYSYQZLE-UHFFFAOYSA-N |
Mol Weight | 297.74 g/mol |
Molecular Formula | C17H12ClNO2 |
Exact Mass | 297.055656 g/mol |
SpectraBase Spectrum ID | 3tysiclH1m6 |
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Name | 2-{[(4-chlorophenyl)methyl]amino}naphthalene-1,4-dione |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 297.055656328 u |
Formula | C17H12ClNO2 |
InChI | InChI=1S/C17H12ClNO2/c18-12-7-5-11(6-8-12)10-19-15-9-16(20)13-3-1-2-4-14(13)17(15)21/h1-9,19H,10H2 |
InChIKey | FMHPXRQYSYQZLE-UHFFFAOYSA-N |
Molecular Weight | 297.741 g/mol |
SMILES | C1=C(C(C=2C(C1=O)=CC=CC2)=O)NCC1=CC=C(C=C1)Cl |