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(S)-(-)-5-benzoyloxy-6-oxohexyl pivalate
SpectraBase Compound ID 7QIrM8WzEmX
InChI InChI=1S/C18H24O5/c1-18(2,3)17(21)22-12-8-7-11-15(13-19)23-16(20)14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3/t15-/m0/s1
InChIKey FKBOBVFFOWKQRX-HNNXBMFYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FHdtBqHe50
Name (S)-(-)-5-benzoyloxy-6-oxohexyl pivalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.162373868 u
Formula C18H24O5
InChI InChI=1S/C18H24O5/c1-18(2,3)17(21)22-12-8-7-11-15(13-19)23-16(20)14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3/t15-/m0/s1
InChIKey FKBOBVFFOWKQRX-HNNXBMFYSA-N
Molecular Weight 320.385 g/mol
SMILES C(O[C@](C=O)(CCCCOC(C(C)(C)C)=O)[H])(=O)C1=CC=CC=C1