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Cyclopropanecarboxylic acid, trans-2-phenyl-, 2-ethylhexyl ester
SpectraBase Compound ID EfFRcQypo9d
InChI InChI=1S/C18H26O2/c1-3-5-9-14(4-2)13-20-18(19)17-12-16(17)15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,3-5,9,12-13H2,1-2H3
InChIKey KKKUGSXIQOSMKI-UHFFFAOYSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ca24bhfZNos
Name Cyclopropanecarboxylic acid, trans-2-phenyl-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 274.193280075 u
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-3-5-9-14(4-2)13-20-18(19)17-12-16(17)15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,3-5,9,12-13H2,1-2H3
InChIKey KKKUGSXIQOSMKI-UHFFFAOYSA-N
Molecular Weight 274.404 g/mol
SMILES C1C(C2=CC=CC=C2)C1C(OCC(CCCC)CC)=O