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1,3-Dimethyl 2-[4-chloro-1-(4-chlorophenyl)dec-3-en-2-yl]propanedioate
SpectraBase Compound ID Hwk0peC0R4p
InChI InChI=1S/C21H28Cl2O4/c1-4-5-6-7-8-18(23)14-16(13-15-9-11-17(22)12-10-15)19(20(24)26-2)21(25)27-3/h9-12,14,16,19H,4-8,13H2,1-3H3/b18-14-
InChIKey ZQHLSHNPWPNALO-JXAWBTAJSA-N
Mol Weight 415.36 g/mol
Molecular Formula C21H28Cl2O4
Exact Mass 414.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UUVEcHqE8Y
Name 1,3-Dimethyl 2-[4-chloro-1-(4-chlorophenyl)dec-3-en-2-yl]propanedioate
Comments Computed using HOSE algorithm
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Exact Mass 414.136464778 u
Formula C21H28Cl2O4
InChI InChI=1S/C21H28Cl2O4/c1-4-5-6-7-8-18(23)14-16(13-15-9-11-17(22)12-10-15)19(20(24)26-2)21(25)27-3/h9-12,14,16,19H,4-8,13H2,1-3H3/b18-14-
InChIKey ZQHLSHNPWPNALO-JXAWBTAJSA-N
Molecular Weight 415.357 g/mol
SMILES C(\C(=C\C(CC1=CC=C(C=C1)Cl)C(C(OC)=O)C(OC)=O)Cl)CCCCC