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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VP3CosgC5f
Name 3-chloropropyl 4-methylbenzenesulfonate
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.027393150 u
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
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202203807
Molecular Weight 248.724 g/mol
Quality 151
Reported Formula C10H13ClO3S
SMILES C1(=CC=C(C=C1)C)S(OCCCCl)(=O)=O
SPLASH splash10-05fu-3900000000-a821bfb74182de0f3c52
Source of Spectrum ACI-61-SM24-12o (DOI: 10.1002/anie.202203807)
Wiley ID 1897819