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p-toluenesulfonic acid, 3-chloropropyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 3 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZ5bH8O0cAK
Name p-TOLUENESULFONIC ACID, 3-CHLOROPROPYL ESTER
Source of Sample Eastman Organic Chemicals, Rochester, New York
Copyright Copyright © 1980, 1981-2024 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
Melting Point 12-15C
Molecular Weight 248.73
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms P-TOLUENESULFONIC ACID, 3-CHLOROPROPYL ESTER