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4-TERT.-BUTYL-6-PHENYL-1,3,2-BENZODIOXATHIOLE-2-OXIDE
SpectraBase Compound ID IiSOO93150e
InChI InChI=1S/C16H16O3S/c1-16(2,3)13-9-12(11-7-5-4-6-8-11)10-14-15(13)19-20(17)18-14/h4-10H,1-3H3
InChIKey BDBUPMKZEZHAST-UHFFFAOYSA-N
Mol Weight 288.36 g/mol
Molecular Formula C16H16O3S
Exact Mass 288.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22WfxugEoVA
Name 1,3,2-Benzodioxathiole, 4-(1,1-dimethylethyl)-6-phenyl-, 2-oxide
Alternate Name(s) 4-t-butyl-6-phenyl-1,3,2-benzodioxathiole 2-oxide 4-tert-Butyl-6-phenyl-1,3,2-benzodioxathiole 2-oxide
CAS Registry Number 72763-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3S
InChI InChI=1S/C16H16O3S/c1-16(2,3)13-9-12(11-7-5-4-6-8-11)10-14-15(13)19-20(17)18-14/h4-10H,1-3H3
InChIKey BDBUPMKZEZHAST-UHFFFAOYSA-N
Molecular Weight 288.361 g/mol
SMILES c12OS(Oc1cc(cc2C(C)(C)C)-c1ccccc1)=O
SPLASH splash10-0079-0190000000-0a3b059e32fcba3e0a62
Source of Spectrum B-32-1866-0
Wiley ID 1291639