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(1R,2R,3R,6S)-4-Hydroxy-4,7,7-trimethyl-bicyclo-[4.1.0]-hept-3-yl-(2S)-2-fluoro-2-[4-(2-methylpropyl)-phenyl]-propionate

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(1R,2R,3R,6S)-4-Hydroxy-4,7,7-trimethyl-bicyclo-[4.1.0]-hept-3-yl-(2S)-2-fluoro-2-[4-(2-methylpropyl)-phenyl]-propionate
SpectraBase Compound ID E2BL19jJ0C4
InChI InChI=1S/C23H33FO3/c1-14(2)11-15-7-9-16(10-8-15)23(6,24)20(25)27-19-12-17-18(21(17,3)4)13-22(19,5)26/h7-10,14,17-19,26H,11-13H2,1-6H3/t17-,18+,19-,22-,23+/m1/s1
InChIKey ISHHFSFUNUWECI-LYHQQNOOSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H33FO3
Exact Mass 376.241373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UlUL7OaXSy
Name (1R,2R,3R,6S)-4-Hydroxy-4,7,7-trimethyl-bicyclo-[4.1.0]-hept-3-yl-(2S)-2-fluoro-2-[4-(2-methylpropyl)-phenyl]-propionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.241373083 u
Formula C23H33FO3
InChI InChI=1S/C23H33FO3/c1-14(2)11-15-7-9-16(10-8-15)23(6,24)20(25)27-19-12-17-18(21(17,3)4)13-22(19,5)26/h7-10,14,17-19,26H,11-13H2,1-6H3/t17-,18+,19-,22-,23+/m1/s1
InChIKey ISHHFSFUNUWECI-LYHQQNOOSA-N
Molecular Weight 376.512 g/mol
SMILES [C@@]1(O)([C@@](C[C@]2(C(C)(C)[C@]2(C1)[H])[H])(OC(=O)[C@](F)(C)C1=CC=C(C=C1)CC(C)C)[H])C