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Spiro[1,3-dithiane-2,2'-tricyclo[9.3.1.1(4,8)]hexadeca[1(15),4,6,8(16), 11,13]hexaen]-10'-one
SpectraBase Compound ID 81begxPxeTL
InChI InChI=1S/C19H18OS2/c20-18-11-14-4-1-5-15(10-14)13-19(21-8-3-9-22-19)17-7-2-6-16(18)12-17/h1-2,4-7,10,12H,3,8-9,11,13H2
InChIKey IOMNEKQIAVEIQQ-UHFFFAOYSA-N
Mol Weight 326.47 g/mol
Molecular Formula C19H18OS2
Exact Mass 326.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHqUSjXBSn9
Name Spiro[1,3-dithiane-2,2'-tricyclo[9.3.1.1(4,8)]hexadeca[1(15),4,6,8(16), 11,13]hexaen]-10'-one
CAS Registry Number 55894-63-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18OS2
InChI InChI=1S/C19H18OS2/c20-18-11-14-4-1-5-15(10-14)13-19(21-8-3-9-22-19)17-7-2-6-16(18)12-17/h1-2,4-7,10,12H,3,8-9,11,13H2
InChIKey IOMNEKQIAVEIQQ-UHFFFAOYSA-N
Molecular Weight 326.472 g/mol
SMILES C12(c3cc(C(=O)Cc4cc(C2)ccc4)ccc3)SCCCS1
SPLASH splash10-0096-0953000000-5ece280647a2d274301d
Source of Spectrum AH-106-199-11
Synonyms 1,10-Dioxo-[2.2]metacyclophane-monopropylenethioacetal Spiro[1,3-dithiane-2,2'-tricyclo[9.3.1.1(4,8)]hexadecane]-1'(15'),4'(16'),5',7',11',13'-hexaen-10'-one
Wiley ID 1324823