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3-Tert-Butyl-2-methyl-4H-thiochromen-4-one
SpectraBase Compound ID C3VCLylYQAT
InChI InChI=1S/C14H16OS/c1-9-12(14(2,3)4)13(15)10-7-5-6-8-11(10)16-9/h5-8H,1-4H3
InChIKey LWFSJGGNNUGUPL-UHFFFAOYSA-N
Mol Weight 232.34 g/mol
Molecular Formula C14H16OS
Exact Mass 232.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ars2NRVu1wN
Name 3-Tert-Butyl-2-methyl-4H-thiochromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16OS
InChI InChI=1S/C14H16OS/c1-9-12(14(2,3)4)13(15)10-7-5-6-8-11(10)16-9/h5-8H,1-4H3
InChIKey LWFSJGGNNUGUPL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200336c
Molecular Weight 232.341 g/mol
SMILES c1cc2C(C(=C(Sc2cc1)C)C(C)(C)C)=O
SPLASH splash10-014i-0490000000-7460d77390e7aa02f552
Source of Spectrum A1-13-1912/SMS12-5e'
Synonyms 3-(tert-butyl)-2-methyl-4H-thiochromen-4-one
Wiley ID 1753008