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Adipic acid, .beta.-citronellyl undecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, .beta.-citronellyl undecyl ester
SpectraBase Compound ID 44QDh8lwnhK
InChI InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-15-22-30-26(28)19-13-14-20-27(29)31-23-21-25(4)18-16-17-24(2)3/h17,25H,5-16,18-23H2,1-4H3
InChIKey WHAUZJIEYLDUJL-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5jSYoN0G6Q
Name Adipic acid, .beta.-citronellyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-15-22-30-26(28)19-13-14-20-27(29)31-23-21-25(4)18-16-17-24(2)3/h17,25H,5-16,18-23H2,1-4H3
InChIKey WHAUZJIEYLDUJL-UHFFFAOYSA-N
Molecular Weight 438.693 g/mol
SMILES C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCCCCCCCCCC)=O