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Adipic acid, 2-adamantyl pentyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 2-adamantyl pentyl ester
SpectraBase Compound ID 7IK0FNEWHRu
InChI InChI=1S/C21H34O4/c1-2-3-6-9-24-19(22)7-4-5-8-20(23)25-21-17-11-15-10-16(13-17)14-18(21)12-15/h15-18,21H,2-14H2,1H3/t15-,16+,17-,18+,21?
InChIKey UWUXSOINAOGFRD-NTJGTUKMSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpL5oBVRtLR
Name Adipic acid, 2-adamantyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.245709571 u
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-2-3-6-9-24-19(22)7-4-5-8-20(23)25-21-17-11-15-10-16(13-17)14-18(21)12-15/h15-18,21H,2-14H2,1H3/t15-,16+,17-,18+,21?
InChIKey UWUXSOINAOGFRD-NTJGTUKMSA-N
Molecular Weight 350.499 g/mol
SMILES C(CCC(=O)OC1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])CC(OCCCCC)=O