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(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 4-chloro-2-(hydroxy(phenyl)methyl)butanoate

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(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 4-chloro-2-(hydroxy(phenyl)methyl)butanoate
SpectraBase Compound ID EFgKACd4Jl
InChI InChI=1S/C21H31ClO3/c1-14(2)17-10-9-15(3)13-19(17)25-21(24)18(11-12-22)20(23)16-7-5-4-6-8-16/h4-8,14-15,17-20,23H,9-13H2,1-3H3/t15-,17+,18?,19-,20?/m1/s1
InChIKey VUTZIYWXDLJNDV-OLOUDYMXSA-N
Mol Weight 366.93 g/mol
Molecular Formula C21H31ClO3
Exact Mass 366.196173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DiJ7alOfxTl
Name (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 4-chloro-2-(hydroxy(phenyl)methyl)butanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.196172555 u
Formula C21H31ClO3
InChI InChI=1S/C21H31ClO3/c1-14(2)17-10-9-15(3)13-19(17)25-21(24)18(11-12-22)20(23)16-7-5-4-6-8-16/h4-8,14-15,17-20,23H,9-13H2,1-3H3/t15-,17+,18?,19-,20?/m1/s1
InChIKey VUTZIYWXDLJNDV-OLOUDYMXSA-N
Molecular Weight 366.929 g/mol
SMILES C1C[C@@](C(C)C)([C@](OC(=O)C(C(O)C2=CC=CC=C2)CCCl)(C[C@@]1(C)[H])[H])[H]