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(2r,3s)-(+)-2-ethyl-2-(3'-acetoxy-5'-phenylthio-amyl)-3-acetoxy-cyclopentanone
SpectraBase Compound ID ISkDCQ6tGUE
InChI InChI=1S/C22H30O5S/c1-4-22(20(25)10-11-21(22)27-17(3)24)14-12-18(26-16(2)23)13-15-28-19-8-6-5-7-9-19/h5-9,18,21H,4,10-15H2,1-3H3/t18?,21-,22-/m0/s1
InChIKey SGMMTESQCNPIRD-VRJTXETASA-N
Mol Weight 406.54 g/mol
Molecular Formula C22H30O5S
Exact Mass 406.181395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nysBRIZD6q
Name (2r,3s)-(+)-2-ethyl-2-(3'-acetoxy-5'-phenylthio-amyl)-3-acetoxy-cyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O5S
InChI InChI=1S/C22H30O5S/c1-4-22(20(25)10-11-21(22)27-17(3)24)14-12-18(26-16(2)23)13-15-28-19-8-6-5-7-9-19/h5-9,18,21H,4,10-15H2,1-3H3/t18?,21-,22-/m0/s1
InChIKey SGMMTESQCNPIRD-VRJTXETASA-N
Molecular Weight 406.537 g/mol
SMILES [C@@]1([C@@](OC(=O)C)(CCC1=O)[H])(CCC(OC(=O)C)CCSc1ccccc1)CC
SPLASH splash10-052f-9313700000-dceecd90a971e86da2a4
Source of Spectrum F-41-4479-13
Synonyms 3-[(1R,2S)-2-(acetyloxy)-1-ethyl-5-oxocyclopentyl]-1-[2-(phenylsulfanyl)ethyl]propyl acetate
Wiley ID 1372132