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3-Tosylheptanoic Acid

View entire compound with spectra: 1 MS (GC)

3-Tosylheptanoic Acid
SpectraBase Compound ID JQLnI9igRsD
InChI InChI=1S/C14H20O4S/c1-3-4-5-13(10-14(15)16)19(17,18)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,15,16)
InChIKey NFDHWWWIXAIWCG-UHFFFAOYSA-N
Mol Weight 284.37 g/mol
Molecular Formula C14H20O4S
Exact Mass 284.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dkxbx1uDVa6
Name 3-Tosylheptanoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4S
InChI InChI=1S/C14H20O4S/c1-3-4-5-13(10-14(15)16)19(17,18)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,15,16)
InChIKey NFDHWWWIXAIWCG-UHFFFAOYSA-N
Molecular Weight 284.370 g/mol
SMILES OC(CC(S(c1ccc(cc1)C)(=O)=O)CCCC)=O
SPLASH splash10-0006-9400000000-e2a451d786fee8871f7e
Source of Spectrum J-59-3207-12
Synonyms 3-[(4-methylphenyl)sulfonyl]heptanoic acid
Wiley ID 1287626