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Adipic acid, .beta.-citronellyl tetradecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, .beta.-citronellyl tetradecyl ester
SpectraBase Compound ID J7TrNQ6SNvp
InChI InChI=1S/C30H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-33-29(31)22-16-17-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h20,28H,5-19,21-26H2,1-4H3
InChIKey PLHZYVHXJZJSTE-UHFFFAOYSA-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 ETKrX26m5fu
Name Adipic acid, .beta.-citronellyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.417860279 u
Formula C30H56O4
InChI InChI=1S/C30H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-33-29(31)22-16-17-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h20,28H,5-19,21-26H2,1-4H3
InChIKey PLHZYVHXJZJSTE-UHFFFAOYSA-N
Molecular Weight 480.774 g/mol
SMILES C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCCCCCCCCCCCCC)=O