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Glutaric acid, heptadecyl 2-methyloct-5-yn-4-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, heptadecyl 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID CuO336iQySR
InChI InChI=1S/C31H56O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-26-34-30(32)24-22-25-31(33)35-29(23-8-6-2)27-28(3)4/h28-29H,5-7,9-22,24-27H2,1-4H3
InChIKey LYUYDTPEFZMIGG-UHFFFAOYSA-N
Mol Weight 492.8 g/mol
Molecular Formula C31H56O4
Exact Mass 492.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ZundvU9HRK
Name Glutaric acid, heptadecyl 2-methyloct-5-yn-4-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.417860279 u
Formula C31H56O4
InChI InChI=1S/C31H56O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-26-34-30(32)24-22-25-31(33)35-29(23-8-6-2)27-28(3)4/h28-29H,5-7,9-22,24-27H2,1-4H3
InChIKey LYUYDTPEFZMIGG-UHFFFAOYSA-N
Molecular Weight 492.785 g/mol
SMILES CC(CC(OC(CCCC(OCCCCCCCCCCCCCCCCC)=O)=O)C#CCC)C