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5-Benzoyl dervative of dithiacyclophane (-),(S)p-14
SpectraBase Compound ID H0vOqcSbxaG
InChI InChI=1S/C26H24OS2/c27-25(22-7-2-1-3-8-22)23-15-20-11-10-19-6-4-9-24(17-19)26(18-21(14-20)16-23)28-12-5-13-29-26/h1-4,6-9,14-17H,5,10-13,18H2
InChIKey HGIOUURCMPTGCV-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H24OS2
Exact Mass 416.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lchvxHlRrr
Name 5-Benzoyl dervative of dithiacyclophane (-),(S)p-14
Alternate Name(s) phenyl({spiro[1,3-dithiane-2,2'-tricyclo[9.3.1.1(4,8)]hexadecane]-1'(14'),4',6',8'(16'),11'(15'),12'-hexaen-6'-yl})methanone
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Formula C26H24OS2
InChI InChI=1S/C26H24OS2/c27-25(22-7-2-1-3-8-22)23-15-20-11-10-19-6-4-9-24(17-19)26(18-21(14-20)16-23)28-12-5-13-29-26/h1-4,6-9,14-17H,5,10-13,18H2
InChIKey HGIOUURCMPTGCV-UHFFFAOYSA-N
Molecular Weight 416.597 g/mol
SMILES C12(c3cc(CCc4cc(cc(C2)c4)C(=O)c2ccccc2)ccc3)SCCCS1
SPLASH splash10-014i-0003900000-52ca5ab4be2f0a8268ee
Source of Spectrum K-125-2566-0
Wiley ID 1376528