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Dichlorophen, o,o'-di(4-methylbenzoyl)-

View entire compound with spectra: 1 NMR

Dichlorophen, o,o'-di(4-methylbenzoyl)-
SpectraBase Compound ID 7mYnQg5gGqt
InChI InChI=1S/C29H22Cl2O4/c1-18-3-7-20(8-4-18)28(32)34-26-13-11-24(30)16-22(26)15-23-17-25(31)12-14-27(23)35-29(33)21-9-5-19(2)6-10-21/h3-14,16-17H,15H2,1-2H3
InChIKey PHHBCNJGNQBPRS-UHFFFAOYSA-N
Mol Weight 505.4 g/mol
Molecular Formula C29H22Cl2O4
Exact Mass 504.089515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67NnQi2sZyh
Name Dichlorophen, o,o'-di(4-methylbenzoyl)-
Comments Computed using HOSE algorithm
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Exact Mass 504.089514584 u
Formula C29H22Cl2O4
InChI InChI=1S/C29H22Cl2O4/c1-18-3-7-20(8-4-18)28(32)34-26-13-11-24(30)16-22(26)15-23-17-25(31)12-14-27(23)35-29(33)21-9-5-19(2)6-10-21/h3-14,16-17H,15H2,1-2H3
InChIKey PHHBCNJGNQBPRS-UHFFFAOYSA-N
Molecular Weight 505.397 g/mol
SMILES C1=C(C=CC(=C1)C(=O)OC1=C(C=C(C=C1)Cl)CC1=C(C=CC(=C1)Cl)OC(C1=CC=C(C)C=C1)=O)C