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Adipic acid, octadecyl trans-hex-3-enyl ester

View entire compound with spectra: 1 NMR

Adipic acid, octadecyl trans-hex-3-enyl ester
SpectraBase Compound ID C9vbTeI7TJc
InChI InChI=1S/C30H56O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-28-34-30(32)26-22-21-25-29(31)33-27-23-8-6-4-2/h6,8H,3-5,7,9-28H2,1-2H3/b8-6+
InChIKey LHRFQEABUFKQIE-SOFGYWHQSA-N
Mol Weight 480.8 g/mol
Molecular Formula C30H56O4
Exact Mass 480.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XMeXPP3M4M
Name Adipic acid, octadecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.417860279 u
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-28-34-30(32)26-22-21-25-29(31)33-27-23-8-6-4-2/h6,8H,3-5,7,9-28H2,1-2H3/b8-6+
InChIKey LHRFQEABUFKQIE-SOFGYWHQSA-N
Molecular Weight 480.774 g/mol
SMILES C(CCCC(OCC\C=C\CC)=O)C(OCCCCCCCCCCCCCCCCCC)=O