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2-(2-Phenylisopropy)L-5-methylcyclohexanol, 4-(2-fluoroethyl)benzoylformate(ester)

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2-(2-Phenylisopropy)L-5-methylcyclohexanol, 4-(2-fluoroethyl)benzoylformate(ester)
SpectraBase Compound ID HugRespZBlC
InChI InChI=1S/C26H31FO3/c1-18-9-14-22(26(2,3)21-7-5-4-6-8-21)23(17-18)30-25(29)24(28)20-12-10-19(11-13-20)15-16-27/h4-8,10-13,18,22-23H,9,14-17H2,1-3H3
InChIKey NTVPTQGADHZUQZ-UHFFFAOYSA-N
Mol Weight 410.53 g/mol
Molecular Formula C26H31FO3
Exact Mass 410.225723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdJuPIUfGBe
Name 2-(2-Phenylisopropy)L-5-methylcyclohexanol, 4-(2-fluoroethyl)benzoylformate(ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.225723018 u
Formula C26H31FO3
InChI InChI=1S/C26H31FO3/c1-18-9-14-22(26(2,3)21-7-5-4-6-8-21)23(17-18)30-25(29)24(28)20-12-10-19(11-13-20)15-16-27/h4-8,10-13,18,22-23H,9,14-17H2,1-3H3
InChIKey NTVPTQGADHZUQZ-UHFFFAOYSA-N
Molecular Weight 410.529 g/mol
SMILES C(F)CC1=CC=C(C=C1)C(=O)C(=O)OC1CC(CCC1C(C)(C)C1=CC=CC=C1)C