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Succinic acid, 4-chloro-3-methylphenyl cis-hex-2-en-1-yl ester
SpectraBase Compound ID 1SGm10FGYim
InChI InChI=1S/C17H21ClO4/c1-3-4-5-6-11-21-16(19)9-10-17(20)22-14-7-8-15(18)13(2)12-14/h5-8,12H,3-4,9-11H2,1-2H3/b6-5-
InChIKey OXTWTKHDIFJUKC-WAYWQWQTSA-N
Mol Weight 324.8 g/mol
Molecular Formula C17H21ClO4
Exact Mass 324.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SO00ARwOTl
Name Succinic acid, 4-chloro-3-methylphenyl cis-hex-2-en-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 324.112836852 u
Formula C17H21ClO4
InChI InChI=1S/C17H21ClO4/c1-3-4-5-6-11-21-16(19)9-10-17(20)22-14-7-8-15(18)13(2)12-14/h5-8,12H,3-4,9-11H2,1-2H3/b6-5-
InChIKey OXTWTKHDIFJUKC-WAYWQWQTSA-N
Molecular Weight 324.804 g/mol
SMILES C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC\C=C/CCC)=O