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cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(decyl) ester
SpectraBase Compound ID 3GXQ6iHy6DS
InChI InChI=1S/C28H50O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,25-26H,3-16,19-24H2,1-2H3
InChIKey OINVPTWRQQEQGR-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IuH8TwsjO3
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(decyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,25-26H,3-16,19-24H2,1-2H3
InChIKey OINVPTWRQQEQGR-UHFFFAOYSA-N
Molecular Weight 450.704 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCC)=O)C(=O)OCCCCCCCCCC