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t-Butyl [(1R,2S,3R)-3-phenyl-1-(2''-heptyloxoethyl)]cyclopropane-2-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

t-Butyl [(1R,2S,3R)-3-phenyl-1-(2''-heptyloxoethyl)]cyclopropane-2-carboxylate
SpectraBase Compound ID 4inmSyMnZLR
InChI InChI=1S/C23H34O3/c1-5-6-7-8-12-15-18(24)16-19-20(17-13-10-9-11-14-17)21(19)22(25)26-23(2,3)4/h9-11,13-14,19-21H,5-8,12,15-16H2,1-4H3/t19-,20-,21+/m1/s1
InChIKey XDOQVQIBXYYKGJ-NJYVYQBISA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WtF0cVQufk
Name T-Butyl [(1R,2S,3R)-3-phenyl-1-(2''-heptyloxoethyl)]cyclopropane-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.250794952 u
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-5-6-7-8-12-15-18(24)16-19-20(17-13-10-9-11-14-17)21(19)22(25)26-23(2,3)4/h9-11,13-14,19-21H,5-8,12,15-16H2,1-4H3/t19-,20-,21+/m1/s1
InChIKey XDOQVQIBXYYKGJ-NJYVYQBISA-N
Molecular Weight 358.522 g/mol
SMILES [C@]1([C@](CC(=O)CCCCCCC)([C@]1(C=1C=CC=CC1)[H])[H])(C(OC(C)(C)C)=O)[H]