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Succinic acid, 3-chlorophenyl (2-methylcyclohex-1-en-1-yl)methyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 3-chlorophenyl (2-methylcyclohex-1-en-1-yl)methyl ester
SpectraBase Compound ID IMl4QPlq4pM
InChI InChI=1S/C18H21ClO4/c1-13-5-2-3-6-14(13)12-22-17(20)9-10-18(21)23-16-8-4-7-15(19)11-16/h4,7-8,11H,2-3,5-6,9-10,12H2,1H3
InChIKey WTZOLTGMYXRHAC-UHFFFAOYSA-N
Mol Weight 336.82 g/mol
Molecular Formula C18H21ClO4
Exact Mass 336.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BUSsvr3Eft
Name Succinic acid, 3-chlorophenyl (2-methylcyclohex-1-en-1-yl)methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.112836852 u
Formula C18H21ClO4
InChI InChI=1S/C18H21ClO4/c1-13-5-2-3-6-14(13)12-22-17(20)9-10-18(21)23-16-8-4-7-15(19)11-16/h4,7-8,11H,2-3,5-6,9-10,12H2,1H3
InChIKey WTZOLTGMYXRHAC-UHFFFAOYSA-N
Molecular Weight 336.815 g/mol
SMILES C(CC(OC1=CC(=CC=C1)Cl)=O)C(OCC1=C(C)CCCC1)=O