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Ante - iso - pentadecanoic acid, eicosyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Ante - iso - pentadecanoic acid, eicosyl ester
SpectraBase Compound ID KkjI9t3UO3N
InChI InChI=1S/C35H70O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-37-35(36)32-29-26-23-20-18-19-22-25-28-31-34(2)3/h34H,4-33H2,1-3H3
InChIKey HFZZLUVFEPHQCO-UHFFFAOYSA-N
Mol Weight 522.9 g/mol
Molecular Formula C35H70O2
Exact Mass 522.537581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkzzYSf7fuR
Name Ante - iso - pentadecanoic acid, eicosyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.537581492 u
Formula C35H70O2
InChI InChI=1S/C35H70O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-37-35(36)32-29-26-23-20-18-19-22-25-28-31-34(2)3/h34H,4-33H2,1-3H3
InChIKey HFZZLUVFEPHQCO-UHFFFAOYSA-N
Molecular Weight 522.943 g/mol
SMILES C(=O)(OCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCC(C)C