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(1R,3R,4S)-8-Phenylmenthyl (4S,3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-thione-3-carboxylate
SpectraBase Compound ID KqzHMchYj5I
InChI InChI=1S/C34H45NO4S/c1-22-15-17-27(34(2,3)24-11-7-6-8-12-24)29(19-22)39-33(36)31-26(21-35(4)32(31)40)23-16-18-28(37-5)30(20-23)38-25-13-9-10-14-25/h6-8,11-12,16,18,20,22,25-27,29,31H,9-10,13-15,17,19,21H2,1-5H3/t22-,26-,27-,29-,31+/m1/s1
InChIKey ZYSCEWYUBOLLKK-VRXLQNRGSA-N
Mol Weight 563.8 g/mol
Molecular Formula C34H45NO4S
Exact Mass 563.30693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlcJNYIPktn
Name (1R,3R,4S)-8-Phenylmenthyl (4S,3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-thione-3-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H45NO4S
InChI InChI=1S/C34H45NO4S/c1-22-15-17-27(34(2,3)24-11-7-6-8-12-24)29(19-22)39-33(36)31-26(21-35(4)32(31)40)23-16-18-28(37-5)30(20-23)38-25-13-9-10-14-25/h6-8,11-12,16,18,20,22,25-27,29,31H,9-10,13-15,17,19,21H2,1-5H3/t22-,26-,27-,29-,31+/m1/s1
InChIKey ZYSCEWYUBOLLKK-VRXLQNRGSA-N
Molecular Weight 563.797 g/mol
SMILES [C@@]1(C(N(C)C[C@@]1(c1cc(OC2CCCC2)c(cc1)OC)[H])=S)(C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)[H]
SPLASH splash10-014r-0984020000-71120726367f8627dc72
Source of Spectrum QE-7-3541-9
Synonyms (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (3R,4S)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-1-methyl-2-thioxo-3-pyrrolidinecarboxylate
Wiley ID 845669