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1-({(1R*,2S*)-1-Chloro-2-[(methoxymethoxy)methyl]-2-(2-phenylethyl)cyclopropyl}sulfinyl)-4-methylbenzene
SpectraBase Compound ID 77zExyfIGe6
InChI InChI=1S/C21H25ClO3S/c1-17-8-10-19(11-9-17)26(23)21(22)14-20(21,15-25-16-24-2)13-12-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/t20-,21-,26?/m0/s1
InChIKey UQSDWOCTRDMIJY-IPEYFGQDSA-N
Mol Weight 392.94 g/mol
Molecular Formula C21H25ClO3S
Exact Mass 392.121294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6Tdf85IkdM
Name 1-({(1R*,2S*)-1-Chloro-2-[(methoxymethoxy)methyl]-2-(2-phenylethyl)cyclopropyl}sulfinyl)-4-methylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25ClO3S
InChI InChI=1S/C21H25ClO3S/c1-17-8-10-19(11-9-17)26(23)21(22)14-20(21,15-25-16-24-2)13-12-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/t20-,21-,26?/m0/s1
InChIKey UQSDWOCTRDMIJY-IPEYFGQDSA-N
Molecular Weight 392.941 g/mol
SMILES [C@@]1([C@](CCc2ccccc2)(COCOC)C1)(S(c1ccc(cc1)C)=O)Cl
SPLASH splash10-0005-9200000000-92143685a4e9eff4c6a8
Source of Spectrum F-68-1079-22
Wiley ID 1708062