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1-({(1R*,2S*)-1-Chloro-2-methyl-2-[(3-phenylpropoxy)methyl]cyclopropyl}sulfinyl)-4-methylbenzene
SpectraBase Compound ID A9hKSgodQyp
InChI InChI=1S/C21H25ClO2S/c1-17-10-12-19(13-11-17)25(23)21(22)15-20(21,2)16-24-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-16H2,1-2H3/t20-,21-,25?/m0/s1
InChIKey PBZVYOMKQJVNOG-ZLTNKZLJSA-N
Mol Weight 376.94 g/mol
Molecular Formula C21H25ClO2S
Exact Mass 376.126379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vVmpGaSvG9
Name 1-({(1R*,2S*)-1-Chloro-2-methyl-2-[(3-phenylpropoxy)methyl]cyclopropyl}sulfinyl)-4-methylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25ClO2S
InChI InChI=1S/C21H25ClO2S/c1-17-10-12-19(13-11-17)25(23)21(22)15-20(21,2)16-24-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-16H2,1-2H3/t20-,21-,25?/m0/s1
InChIKey PBZVYOMKQJVNOG-ZLTNKZLJSA-N
Molecular Weight 376.942 g/mol
SMILES [C@@]1([C@@](COCCCc2ccccc2)(C)C1)(S(c1ccc(cc1)C)=O)Cl
SPLASH splash10-0006-9300000000-3567cb56543ea342b4a3
Source of Spectrum F-68-1078-16c
Wiley ID 1708069