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Cyclopropanecarboxylic acid, trans-2-phenyl-, hexadecyl ester

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Cyclopropanecarboxylic acid, trans-2-phenyl-, hexadecyl ester
SpectraBase Compound ID FMmI6Qt5AX3
InChI InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-26(27)25-22-24(25)23-19-16-15-17-20-23/h15-17,19-20,24-25H,2-14,18,21-22H2,1H3
InChIKey XYYLNWASRLMQKZ-UHFFFAOYSA-N
Mol Weight 386.6 g/mol
Molecular Formula C26H42O2
Exact Mass 386.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID sqdGq6B9Ck
Name Cyclopropanecarboxylic acid, trans-2-phenyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.318480590 u
Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-26(27)25-22-24(25)23-19-16-15-17-20-23/h15-17,19-20,24-25H,2-14,18,21-22H2,1H3
InChIKey XYYLNWASRLMQKZ-UHFFFAOYSA-N
Molecular Weight 386.620 g/mol
SMILES C1C(C2=CC=CC=C2)C1C(OCCCCCCCCCCCCCCCC)=O