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Adipic acid, 2-chloropropyl heptyl ester
SpectraBase Compound ID FrzcLghzniZ
InChI InChI=1S/C16H29ClO4/c1-3-4-5-6-9-12-20-15(18)10-7-8-11-16(19)21-13-14(2)17/h14H,3-13H2,1-2H3
InChIKey BVAPIZLYVSIXCH-UHFFFAOYSA-N
Mol Weight 320.86 g/mol
Molecular Formula C16H29ClO4
Exact Mass 320.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yTEEngeF14
Name Adipic acid, 2-chloropropyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 320.175437110 u
Formula C16H29ClO4
InChI InChI=1S/C16H29ClO4/c1-3-4-5-6-9-12-20-15(18)10-7-8-11-16(19)21-13-14(2)17/h14H,3-13H2,1-2H3
InChIKey BVAPIZLYVSIXCH-UHFFFAOYSA-N
Molecular Weight 320.857 g/mol
SMILES C(CCCC(=O)OCC(C)Cl)C(OCCCCCCC)=O