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2-Acetyl-2-ethyl-4H-3,1-benzoxathiine

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-Acetyl-2-ethyl-4H-3,1-benzoxathiine
SpectraBase Compound ID 3C6up4uAo9h
InChI InChI=1S/C12H14O2S/c1-3-12(9(2)13)14-8-10-6-4-5-7-11(10)15-12/h4-7H,3,8H2,1-2H3
InChIKey LJKWDVMOZQWRCC-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8odb58TQyoj
Name 2-Acetyl-2-ethyl-4H-3,1-benzoxathiine
Alternate Name(s) 1-(2-Ethyl-4H-3,1-benzoxathiin-2-yl)ethanone
CAS Registry Number 124921-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-3-12(9(2)13)14-8-10-6-4-5-7-11(10)15-12/h4-7H,3,8H2,1-2H3
InChIKey LJKWDVMOZQWRCC-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES C1(Sc2ccccc2CO1)(C(=O)C)CC
SPLASH splash10-0adi-6900000000-6ca64300e838cb3f97ea
Source of Spectrum K-123-1147-4
Wiley ID 1222138