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(1R,3R,4S)-8-Phenylmenthyl (4R,3R)-4-(2-furyl)-1-methylpyrrolidin-2-thione-3-carboxylate

View entire compound with spectra: 1 MS (GC)

(1R,3R,4S)-8-Phenylmenthyl (4R,3R)-4-(2-furyl)-1-methylpyrrolidin-2-thione-3-carboxylate
SpectraBase Compound ID I7LZ1fuuao3
InChI InChI=1S/C26H33NO3S/c1-17-12-13-20(26(2,3)18-9-6-5-7-10-18)22(15-17)30-25(28)23-19(16-27(4)24(23)31)21-11-8-14-29-21/h5-11,14,17,19-20,22-23H,12-13,15-16H2,1-4H3/t17-,19-,20-,22-,23+/m1/s1
InChIKey HHLOOILQJHTVPP-HQDNEAKPSA-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 699PAgy1m0t
Name (1R,3R,4S)-8-Phenylmenthyl (4R,3R)-4-(2-furyl)-1-methylpyrrolidin-2-thione-3-carboxylate
Alternate Name(s) (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (3R,4R)-4-(2-furyl)-1-methyl-2-thioxo-3-pyrrolidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33NO3S
InChI InChI=1S/C26H33NO3S/c1-17-12-13-20(26(2,3)18-9-6-5-7-10-18)22(15-17)30-25(28)23-19(16-27(4)24(23)31)21-11-8-14-29-21/h5-11,14,17,19-20,22-23H,12-13,15-16H2,1-4H3/t17-,19-,20-,22-,23+/m1/s1
InChIKey HHLOOILQJHTVPP-HQDNEAKPSA-N
Molecular Weight 439.614 g/mol
SMILES [C@]1([C@](CN(C1=S)C)(c1occc1)[H])(C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)[H]
SPLASH splash10-004i-1790000000-6e8c1905c1b9f365d601
Source of Spectrum QE-7-3542-9
Wiley ID 845664