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(1R*,3R*,4S*)-Menthyl (4S*,3R*)-1-benzyl-4-(2-furyl)pyrrolidin-2-thione-3-carboxylate
SpectraBase Compound ID G7FdaNUimvA
InChI InChI=1S/C26H33NO3S/c1-17(2)20-12-11-18(3)14-23(20)30-26(28)24-21(22-10-7-13-29-22)16-27(25(24)31)15-19-8-5-4-6-9-19/h4-10,13,17-18,20-21,23-24H,11-12,14-16H2,1-3H3/t18-,20+,21+,23-,24+/m1/s1
InChIKey VMEPKDPQIRTQLD-YOUKPXGDSA-N
Mol Weight 439.6 g/mol
Molecular Formula C26H33NO3S
Exact Mass 439.218115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAx0n4CbFlE
Name (1R*,3R*,4S*)-Menthyl (4S*,3R*)-1-benzyl-4-(2-furyl)pyrrolidin-2-thione-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33NO3S
InChI InChI=1S/C26H33NO3S/c1-17(2)20-12-11-18(3)14-23(20)30-26(28)24-21(22-10-7-13-29-22)16-27(25(24)31)15-19-8-5-4-6-9-19/h4-10,13,17-18,20-21,23-24H,11-12,14-16H2,1-3H3/t18-,20+,21+,23-,24+/m1/s1
InChIKey VMEPKDPQIRTQLD-YOUKPXGDSA-N
Molecular Weight 439.614 g/mol
SMILES [C@@]1(C(N(Cc2ccccc2)C[C@]1(c1occc1)[H])=S)(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)[H]
SPLASH splash10-0pbc-8096100000-31aaa32fe5d45e23faea
Source of Spectrum QE-7-3541-9
Synonyms (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (3R,4S)-1-benzyl-4-(2-furyl)-2-thioxo-3-pyrrolidinecarboxylate
Wiley ID 845670