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p-toluenesulfonic acid, 3-chloropropyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 MS (GC)

p-toluenesulfonic acid, 3-chloropropyl ester
SpectraBase Compound ID 5KSWGNMsfjW
InChI InChI=1S/C10H13ClO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3
InChIKey NQCQVNHLNXCSPY-UHFFFAOYSA-N
Mol Weight 248.72 g/mol
Molecular Formula C10H13ClO3S
Exact Mass 248.027393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzsWwxcQUSG
Name 3-Chloranylpropyl 4-methylbenzenesulfonate
Alternate Name(s) 3-Chloropropyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid 3-chloropropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13ClO3S
InChI InChI=1S/C10H13ClO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3
InChIKey NQCQVNHLNXCSPY-UHFFFAOYSA-N
Molecular Weight 248.724 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)OCCCCl
SPLASH splash10-006x-9500000000-39b0d19524b2a6324f5d
Wiley ID 1471902