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3,9-Dithiapentacyclo[6.4.0.0(2,7).0(4,11).0(5,10)]dodecane-6,12-dione, 2,4,8,10-tetramethyl-, 3-oxide
SpectraBase Compound ID 4HzM0He3CSX
InChI InChI=1S/C14H16O3S2/c1-11-7-5(15)9-12(2,18-11)10-6(16)8(11)13(7,3)19(17)14(9,10)4/h7-10H,1-4H3/t7-,8?,9+,10?,11+,12-,13?,14?,19?
InChIKey ONFPEDHMNWUJLU-JAYXYFLSSA-N
Mol Weight 296.4 g/mol
Molecular Formula C14H16O3S2
Exact Mass 296.054087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Fd1puemJMM
Name 3,9-Dithiapentacyclo[6.4.0.0(2,7).0(4,11).0(5,10)]dodecane-6,12-dione, 2,4,8,10-tetramethyl-, 3-oxide
CAS Registry Number 30250-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3S2
InChI InChI=1S/C14H16O3S2/c1-11-7-5(15)9-12(2,18-11)10-6(16)8(11)13(7,3)19(17)14(9,10)4/h7-10H,1-4H3/t7-,8?,9+,10?,11+,12-,13?,14?,19?
InChIKey ONFPEDHMNWUJLU-JAYXYFLSSA-N
Molecular Weight 296.399 g/mol
SMILES C12(S(C3(C4[C@@]5([C@@]3(C([C@@]1([C@](C2C4=O)(S5)C)[H])=O)[H])C)C)=O)C
SPLASH splash10-03di-4910000000-409ddd0b4f3ffb107272
Source of Spectrum AJ-43-3208-1
Synonyms 2,4,8,10-tetramethyl-3,9-dithiapentacyclo[6.4.0.0(2,7).0(4,11).0(5,10)]dodecane-6,12-dione 3-oxide 2,6-Dimethyl-4H-thiopyran-4-one monosulfoxide head-to-tail cage dimer
Wiley ID 1298763