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7-Hydroxy-1-[(R)-(tolylsulfinyl)]-2-heptanone
SpectraBase Compound ID 7lWrj3YDH6f
InChI InChI=1S/C14H20O3S/c1-12-6-8-14(9-7-12)18(17)11-13(16)5-3-2-4-10-15/h6-9,15H,2-5,10-11H2,1H3
InChIKey DJSQGJYPONGWQC-UHFFFAOYSA-N
Mol Weight 268.37 g/mol
Molecular Formula C14H20O3S
Exact Mass 268.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rzaLfulGBx
Name 7-Hydroxy-1-[(R)-(tolylsulfinyl)]-2-heptanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3S
InChI InChI=1S/C14H20O3S/c1-12-6-8-14(9-7-12)18(17)11-13(16)5-3-2-4-10-15/h6-9,15H,2-5,10-11H2,1H3
InChIKey DJSQGJYPONGWQC-UHFFFAOYSA-N
Molecular Weight 268.371 g/mol
SMILES OCCCCCC(C[S@](c1ccc(cc1)C)=O)=O
SPLASH splash10-000i-0900000000-ab77466bf6b506beac0d
Source of Spectrum F-56-7935-18
Synonyms 7-hydroxy-1-[(4-methylphenyl)sulfinyl]-2-heptanone
Wiley ID 858736