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Adipic acid, heptadecyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 NMR

Adipic acid, heptadecyl 4-methylpent-2-yl ester
SpectraBase Compound ID 8TJEhSGh99X
InChI InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)22-19-20-23-29(31)33-27(4)25-26(2)3/h26-27H,5-25H2,1-4H3
InChIKey LFARJZXQTSEUNE-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AThkyBVwqzg
Name Adipic acid, heptadecyl 4-methylpent-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.417860279 u
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-28(30)22-19-20-23-29(31)33-27(4)25-26(2)3/h26-27H,5-25H2,1-4H3
InChIKey LFARJZXQTSEUNE-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(C(OC(C)CC(C)C)=O)CCCC(OCCCCCCCCCCCCCCCCC)=O