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Sebacic acid, decyl 2-ethylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 2-ethylphenyl ester
SpectraBase Compound ID 1gyHvjuc8Ms
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-11-14-19-24-31-27(29)22-15-12-9-10-13-16-23-28(30)32-26-21-18-17-20-25(26)4-2/h17-18,20-21H,3-16,19,22-24H2,1-2H3
InChIKey GIIDTCHADUWYMG-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LD3USS7M2IP
Name Sebacic acid, decyl 2-ethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-11-14-19-24-31-27(29)22-15-12-9-10-13-16-23-28(30)32-26-21-18-17-20-25(26)4-2/h17-18,20-21H,3-16,19,22-24H2,1-2H3
InChIKey GIIDTCHADUWYMG-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(C(OC=1C(CC)=CC=CC1)=O)CCCCCCCC(OCCCCCCCCCC)=O