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Glutaric acid, heptadecyl non-5-yn-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, heptadecyl non-5-yn-3-yl ester
SpectraBase Compound ID 9eBC5FKad8F
InChI InChI=1S/C31H56O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-23-28-34-30(32)26-24-27-31(33)35-29(6-3)25-22-10-8-5-2/h29H,4-9,11-21,23-28H2,1-3H3
InChIKey HNSDHXBVAPXJOD-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 49CpzWZmGhR
Name Glutaric acid, heptadecyl non-5-yn-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.417860279 u
Formula C31H56O4
InChI InChI=1S/C31H56O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-23-28-34-30(32)26-24-27-31(33)35-29(6-3)25-22-10-8-5-2/h29H,4-9,11-21,23-28H2,1-3H3
InChIKey HNSDHXBVAPXJOD-UHFFFAOYSA-N
Molecular Weight 492.785 g/mol
SMILES C(C#CCC(OC(CCCC(OCCCCCCCCCCCCCCCCC)=O)=O)CC)CC