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Glutaric acid, isohexyl phenethyl ester
SpectraBase Compound ID JCI7ofBVzk9
InChI InChI=1S/C19H28O4/c1-16(2)8-7-14-22-18(20)11-6-12-19(21)23-15-13-17-9-4-3-5-10-17/h3-5,9-10,16H,6-8,11-15H2,1-2H3
InChIKey DFDVFARZNWMKNC-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lNXTpBVmLQ
Name Glutaric acid, isohexyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-16(2)8-7-14-22-18(20)11-6-12-19(21)23-15-13-17-9-4-3-5-10-17/h3-5,9-10,16H,6-8,11-15H2,1-2H3
InChIKey DFDVFARZNWMKNC-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES CC(C)CCCOC(CCCC(OCCC1=CC=CC=C1)=O)=O