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4-chloro-2,5-xylenesulfonic acid, p-(benzyloxy)phenyl ester
SpectraBase Compound ID 27wRo1jJ7HL
InChI InChI=1S/C21H19ClO4S/c1-15-13-21(16(2)12-20(15)22)27(23,24)26-19-10-8-18(9-11-19)25-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKey DBWUWLAEYJBMAE-UHFFFAOYSA-N
Mol Weight 402.89 g/mol
Molecular Formula C21H19ClO4S
Exact Mass 402.069258 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EFUhlrv9rRi
Name 4-CHLORO-2,5-XYLENESULFONIC ACID, p-(BENZYLOXY)PHENYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClO4S
InChI InChI=1S/C21H19ClO4S/c1-15-13-21(16(2)12-20(15)22)27(23,24)26-19-10-8-18(9-11-19)25-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKey DBWUWLAEYJBMAE-UHFFFAOYSA-N
Melting Point 110-112C
Molecular Weight 402.90
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2,5-XYLENESULFONIC ACID, 4-CHLORO-, P-/BENZYLOXY/PHENYL ESTER