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1-methoxy-4-(pentylsulfonyl)benzene
SpectraBase Compound ID GWrnhU9okWZ
InChI InChI=1S/C12H18O3S/c1-3-4-5-10-16(13,14)12-8-6-11(15-2)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKey PTZSGLZCUVGZDD-UHFFFAOYSA-N
Mol Weight 242.33 g/mol
Molecular Formula C12H18O3S
Exact Mass 242.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zKqeAw4cJZ
Name 1-methoxy-4-(pentylsulfonyl)benzene
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.097665611 u
Formula C12H18O3S
InChI InChI=1S/C12H18O3S/c1-3-4-5-10-16(13,14)12-8-6-11(15-2)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKey PTZSGLZCUVGZDD-UHFFFAOYSA-N
Instrument Name Shimazdu QP-5000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702892
Molecular Weight 242.333 g/mol
Quality 284
Reported Formula C12H18O3S
SMILES C1(=CC=C(C=C1)OC)S(CCCCC)(=O)=O
SPLASH splash10-0ab9-1900000000-4c905ac27692123f76c6
Source of Spectrum QE-23-SM8-5f (DOI: 10.1002/chem.201702892)
Thin-Layer Chromatography 0.30 (Hexane/AcOEt, 4:1)
Wiley ID 1905639