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Cyclopropanecarboxylic acid, trans-2-phenyl-, tridec-3-yl ester

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Cyclopropanecarboxylic acid, trans-2-phenyl-, tridec-3-yl ester
SpectraBase Compound ID 4cx0F4kSch7
InChI InChI=1S/C23H36O2/c1-3-5-6-7-8-9-10-14-17-20(4-2)25-23(24)22-18-21(22)19-15-12-11-13-16-19/h11-13,15-16,20-22H,3-10,14,17-18H2,1-2H3
InChIKey KWXCYZUYUNIGAK-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5F4MuXSJXjC
Name Cyclopropanecarboxylic acid, trans-2-phenyl-, tridec-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 344.271530397 u
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-3-5-6-7-8-9-10-14-17-20(4-2)25-23(24)22-18-21(22)19-15-12-11-13-16-19/h11-13,15-16,20-22H,3-10,14,17-18H2,1-2H3
InChIKey KWXCYZUYUNIGAK-UHFFFAOYSA-N
Molecular Weight 344.539 g/mol
SMILES C1C(C2=CC=CC=C2)C1C(OC(CCCCCCCCCC)CC)=O