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4-Methylbenzenesulfonic acid 4-oxanylmethyl ester
SpectraBase Compound ID 4oZZDCiG6Sk
InChI InChI=1S/C13H18O4S/c1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12/h2-5,12H,6-10H2,1H3
InChIKey DCBKCZSYJRZBDB-UHFFFAOYSA-N
Mol Weight 270.34 g/mol
Molecular Formula C13H18O4S
Exact Mass 270.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lMGCm9Giwq
Name 4-Tetrahydrofurylmethyl-p-toluenesulfonate
Classification Designer drug precursor
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 270.092580230 u
Formula C13H18O4S
InChI InChI=1S/C13H18O4S/c1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12/h2-5,12H,6-10H2,1H3
InChIKey DCBKCZSYJRZBDB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 270.343 g/mol
Nominal Mass 270 u
Quality 999
Retention Index 2108
SMILES C1(S(OCC2CCOCC2)(=O)=O)=CC=C(C=C1)C
SPLASH splash10-00dl-9000000000-2c01b7a8af2a5ff74c12
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Oxan-4-ylmethyl 4-methylbenzene-1-sulfonate
Technique GC/MS
Wiley ID DD2024_030930