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(2R,3R)-3-(Hydroxymethyl)-2-[(2,4,6-triisopropylphenyl)sulfonyl]-1-cyclopentanone
SpectraBase Compound ID 4B7KFc47yQ8
InChI InChI=1S/C21H32O4S/c1-12(2)16-9-17(13(3)4)21(18(10-16)14(5)6)26(24,25)20-15(11-22)7-8-19(20)23/h9-10,12-15,20,22H,7-8,11H2,1-6H3/t15-,20-/m1/s1
InChIKey VKTWSBLLSQWVOF-FOIQADDNSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O4S
Exact Mass 380.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KbEbu4qAqY
Name (2R,3R)-3-(Hydroxymethyl)-2-[(2,4,6-triisopropylphenyl)sulfonyl]-1-cyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4S
InChI InChI=1S/C21H32O4S/c1-12(2)16-9-17(13(3)4)21(18(10-16)14(5)6)26(24,25)20-15(11-22)7-8-19(20)23/h9-10,12-15,20,22H,7-8,11H2,1-6H3/t15-,20-/m1/s1
InChIKey VKTWSBLLSQWVOF-FOIQADDNSA-N
Molecular Weight 380.543 g/mol
SMILES OC[C@@]1([C@@](S(c2c(cc(cc2C(C)C)C(C)C)C(C)C)(=O)=O)(C(CC1)=O)[H])[H]
SPLASH splash10-014i-0091000000-9d80559970b9f37ccc3f
Source of Spectrum AJ-71-2963-17
Wiley ID 774741