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Probenecid

View entire compound with spectra: 1 FTIR, 1 Raman, and 7 MS (GC)

Probenecid
SpectraBase Compound ID Dmbwxgs0nto
InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKey DBABZHXKTCFAPX-UHFFFAOYSA-N
Mol Weight 285.36 g/mol
Molecular Formula C13H19NO4S
Exact Mass 285.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bi5Lhyevv9
Name Probenecid
Catalog Number 26294
CAS Registry Number 57-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO4S
InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKey DBABZHXKTCFAPX-UHFFFAOYSA-N
Molecular Weight 285.358 g/mol
SMILES OC(c1ccc(cc1)S(N(CCC)CCC)(=O)=O)=O
SPLASH splash10-0a4i-3690000000-2a7e3929dc2baa83758f
Source of Spectrum CAY-2023-45-0
Wiley ID 1888011