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Succinic acid, 8-chlorooctyl cyclopentyl ester
SpectraBase Compound ID Jxr3PheOOXe
InChI InChI=1S/C17H29ClO4/c18-13-7-3-1-2-4-8-14-21-16(19)11-12-17(20)22-15-9-5-6-10-15/h15H,1-14H2
InChIKey SEISXWLDJDSZDK-UHFFFAOYSA-N
Mol Weight 332.87 g/mol
Molecular Formula C17H29ClO4
Exact Mass 332.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H26Kds546zQ
Name Succinic acid, 8-chlorooctyl cyclopentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 332.175437110 u
Formula C17H29ClO4
InChI InChI=1S/C17H29ClO4/c18-13-7-3-1-2-4-8-14-21-16(19)11-12-17(20)22-15-9-5-6-10-15/h15H,1-14H2
InChIKey SEISXWLDJDSZDK-UHFFFAOYSA-N
Molecular Weight 332.868 g/mol
SMILES C(CC(OCCCCCCCCCl)=O)C(OC1CCCC1)=O