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Glutaric acid, dodec-2-en-1-yl 2-tert-butylcyclohexyl ester

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Glutaric acid, dodec-2-en-1-yl 2-tert-butylcyclohexyl ester
SpectraBase Compound ID LE4TaseP3Iw
InChI InChI=1S/C27H48O4/c1-5-6-7-8-9-10-11-12-13-16-22-30-25(28)20-17-21-26(29)31-24-19-15-14-18-23(24)27(2,3)4/h13,16,23-24H,5-12,14-15,17-22H2,1-4H3/b16-13+
InChIKey CFLDHLOFUNNXDB-DTQAZKPQSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHnhqne6kWy
Name Glutaric acid, dodec-2-en-1-yl 2-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-5-6-7-8-9-10-11-12-13-16-22-30-25(28)20-17-21-26(29)31-24-19-15-14-18-23(24)27(2,3)4/h13,16,23-24H,5-12,14-15,17-22H2,1-4H3/b16-13+
InChIKey CFLDHLOFUNNXDB-DTQAZKPQSA-N
Molecular Weight 436.677 g/mol
SMILES C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC1C(CCCC1)C(C)(C)C)=O