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Phthalic acid, 2-(1-adamantyl)ethyl decyl ester

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Phthalic acid, 2-(1-adamantyl)ethyl decyl ester
SpectraBase Compound ID 4YNMUIl3le3
InChI InChI=1S/C30H44O4/c1-2-3-4-5-6-7-8-11-15-33-28(31)26-12-9-10-13-27(26)29(32)34-16-14-30-20-23-17-24(21-30)19-25(18-23)22-30/h9-10,12-13,23-25H,2-8,11,14-22H2,1H3/t23-,24+,25-,30+
InChIKey JSMPOLROAABLEF-WFUBAEQTSA-N
Mol Weight 468.7 g/mol
Molecular Formula C30H44O4
Exact Mass 468.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DY0WjCSKmOC
Name Phthalic acid, 2-(1-adamantyl)ethyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.323959893 u
Formula C30H44O4
InChI InChI=1S/C30H44O4/c1-2-3-4-5-6-7-8-11-15-33-28(31)26-12-9-10-13-27(26)29(32)34-16-14-30-20-23-17-24(21-30)19-25(18-23)22-30/h9-10,12-13,23-25H,2-8,11,14-22H2,1H3/t23-,24+,25-,30+
InChIKey JSMPOLROAABLEF-WFUBAEQTSA-N
Molecular Weight 468.678 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCC)C(=O)OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]