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(1'R,2'S,5'R)-Menthyl r-2R-methoxycarbonyl-2-methyl-c-5R-phenylpyrrolidine-c-4S-carboxylate
SpectraBase Compound ID 5C4B3H9VjNO
InChI InChI=1S/C24H35NO4/c1-15(2)18-12-11-16(3)13-20(18)29-22(26)19-14-24(4,23(27)28-5)25-21(19)17-9-7-6-8-10-17/h6-10,15-16,18-21,25H,11-14H2,1-5H3/t16-,18+,19+,20-,21+,24+/m1/s1
InChIKey AJQXSTANBZHTGX-IMDNIBDASA-N
Mol Weight 401.5 g/mol
Molecular Formula C24H35NO4
Exact Mass 401.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73jBpNh5K1I
Name (1'R,2'S,5'R)-Menthyl R-2R-methoxycarbonyl-2-methyl-C-5R-phenylpyrrolidine-C-4S-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.256608607 u
Formula C24H35NO4
InChI InChI=1S/C24H35NO4/c1-15(2)18-12-11-16(3)13-20(18)29-22(26)19-14-24(4,23(27)28-5)25-21(19)17-9-7-6-8-10-17/h6-10,15-16,18-21,25H,11-14H2,1-5H3/t16-,18+,19+,20-,21+,24+/m1/s1
InChIKey AJQXSTANBZHTGX-IMDNIBDASA-N
Molecular Weight 401.547 g/mol
SMILES [C@@]1([C@@](N[C@@](C1)(C(=O)OC)C)(C=1C=CC=CC1)[H])(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)[H]