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2,2-Dimethyl-4H-3,1-benzoxathiin
SpectraBase Compound ID DYzHqgFBuux
InChI InChI=1S/C10H12OS/c1-10(2)11-7-8-5-3-4-6-9(8)12-10/h3-6H,7H2,1-2H3
InChIKey NKUAUTXFVVHJHM-UHFFFAOYSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzPSj1DCiFW
Name 2,2-dimethyl-4H-3,1-benzoxathiine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-10(2)11-7-8-5-3-4-6-9(8)12-10/h3-6H,7H2,1-2H3
InChIKey NKUAUTXFVVHJHM-UHFFFAOYSA-N
Instrument Name Agilent MSD 5973N
Ionization Type EI positive ion
Molecular Weight 180.265 g/mol
SMILES c1cc2c(cc1)SC(OC2)(C)C
SPLASH splash10-00di-3900000000-4d0f5d3a866bd0199321
Source of Spectrum WO2021073736A1
Wiley ID 1879994