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cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentadecyl phenethyl ester

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cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentadecyl phenethyl ester
SpectraBase Compound ID J1FwQBDg6dN
InChI InChI=1S/C31H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-34-30(32)28-22-17-18-23-29(28)31(33)35-26-24-27-20-15-14-16-21-27/h14-18,20-21,28-29H,2-13,19,22-26H2,1H3
InChIKey IOBZLESSXUAKOB-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C31H48O4
Exact Mass 484.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQNr19kjTl2
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentadecyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.355260022 u
Formula C31H48O4
InChI InChI=1S/C31H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-34-30(32)28-22-17-18-23-29(28)31(33)35-26-24-27-20-15-14-16-21-27/h14-18,20-21,28-29H,2-13,19,22-26H2,1H3
InChIKey IOBZLESSXUAKOB-UHFFFAOYSA-N
Molecular Weight 484.721 g/mol
SMILES C=1CC(C(CC1)C(OCCC=1C=CC=CC1)=O)C(=O)OCCCCCCCCCCCCCCC