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Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-
SpectraBase Compound ID JUopBcIZddp
InChI InChI=1S/C17H22OS2/c18-16-10-5-4-9-15(13-16)17(19-11-6-12-20-17)14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2
InChIKey AFYUJLAUNKGHKY-UHFFFAOYSA-N
Mol Weight 306.48 g/mol
Molecular Formula C17H22OS2
Exact Mass 306.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AapmTFMg6M
Name Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-
CAS Registry Number 66124-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22OS2
InChI InChI=1S/C17H22OS2/c18-16-10-5-4-9-15(13-16)17(19-11-6-12-20-17)14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2
InChIKey AFYUJLAUNKGHKY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol403041k
Molecular Weight 306.482 g/mol
SMILES C1(C2CCCCC(C2)=O)(SCCCS1)c1ccccc1
SPLASH splash10-0002-1900000000-ceacec1136693279fc81
Source of Spectrum A1-16-70/SMS8-3c
Synonyms 3-(2-Phenyl-1,3-dithian-2-yl)cycloheptan-1-one 3-(2-phenyl-1,3-dithian-2-yl)-1-cycloheptanone 3-(2-Phenyl-1,3-dithian-2-yl)cycloheptanone
Wiley ID 1747614