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(1R,2S)-2-Chloro-cyclopropanecarboxylic acid 3-phenyl-propyl ester
SpectraBase Compound ID 3mR9x0MNc9Q
InChI InChI=1S/C13H15ClO2/c14-12-9-11(12)13(15)16-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12-/m0/s1
InChIKey WVAJHFDIAAQRFU-RYUDHWBXSA-N
Mol Weight 238.71 g/mol
Molecular Formula C13H15ClO2
Exact Mass 238.076057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FActFhtF68l
Name (1R,2S)-2-Chloro-cyclopropanecarboxylic acid 3-phenyl-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 238.076057421 u
Formula C13H15ClO2
InChI InChI=1S/C13H15ClO2/c14-12-9-11(12)13(15)16-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12-/m0/s1
InChIKey WVAJHFDIAAQRFU-RYUDHWBXSA-N
Molecular Weight 238.714 g/mol
SMILES [C@]1(C[C@@]1(Cl)[H])(C(=O)OCCCC1=CC=CC=C1)[H]