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Glutaric acid, 2-methylhex-3-yl 1-phenylethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylhex-3-yl 1-phenylethyl ester
SpectraBase Compound ID GBTiUrz2bnB
InChI InChI=1S/C20H30O4/c1-5-10-18(15(2)3)24-20(22)14-9-13-19(21)23-16(4)17-11-7-6-8-12-17/h6-8,11-12,15-16,18H,5,9-10,13-14H2,1-4H3
InChIKey ASVFVAAPRBILGE-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40cqD6Rgbhg
Name Glutaric acid, 2-methylhex-3-yl 1-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-5-10-18(15(2)3)24-20(22)14-9-13-19(21)23-16(4)17-11-7-6-8-12-17/h6-8,11-12,15-16,18H,5,9-10,13-14H2,1-4H3
InChIKey ASVFVAAPRBILGE-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(OC(C)C1=CC=CC=C1)(=O)CCCC(OC(CCC)C(C)C)=O