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Adipic acid, di(.beta.-citronellyl) ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Adipic acid, di(.beta.-citronellyl) ester
SpectraBase Compound ID 599jXUf0oUI
InChI InChI=1S/C26H46O4/c1-21(2)11-9-13-23(5)17-19-29-25(27)15-7-8-16-26(28)30-20-18-24(6)14-10-12-22(3)4/h11-12,23-24H,7-10,13-20H2,1-6H3
InChIKey JYCAVOFTMMNBEY-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPeO3uPgONc
Name Adipic acid, di(.beta.-citronellyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-21(2)11-9-13-23(5)17-19-29-25(27)15-7-8-16-26(28)30-20-18-24(6)14-10-12-22(3)4/h11-12,23-24H,7-10,13-20H2,1-6H3
InChIKey JYCAVOFTMMNBEY-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCC(C)CCC=C(C)C)=O