3-Methoxycarbonyl-4-thia-5-butyl-4,4-dioxo-tetracyclo[5.2.1(1,7).0(2,6)]deca-8-ene

SpectraBase Compound ID	GSevNTgoneO
InChI	InChI=1S/C15H22O4S/c1-3-4-5-11-12-9-6-7-10(8-9)13(12)14(15(16)19-2)20(11,17)18/h6-7,9-14H,3-5,8H2,1-2H3/t9-,10-,11?,12-,13+,14?/m0/s1
InChIKey	HQYRDMVKFQWWFA-GEIIMWPISA-N Google Search
Mol Weight	298.4 g/mol
Molecular Formula	C15H22O4S
Exact Mass	298.12388 g/mol

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SpectraBase Spectrum ID	BxRzDof2wHQ
Name	3-Methoxycarbonyl-4-thia-5-butyl-4,4-dioxo-tetracyclo[5.2.1(1,7).0(2,6)]deca-8-ene
Alternate Name(s)	Methyl 5-butyl-4-thiatricyclo[5.2.1.0(2,6)]dec-8-ene-3-carboxylate 4,4-dioxide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H22O4S
InChI	InChI=1S/C15H22O4S/c1-3-4-5-11-12-9-6-7-10(8-9)13(12)14(15(16)19-2)20(11,17)18/h6-7,9-14H,3-5,8H2,1-2H3/t9-,10-,11?,12-,13+,14?/m0/s1
InChIKey	HQYRDMVKFQWWFA-GEIIMWPISA-N
Molecular Weight	298.397 g/mol
SMILES	C1(S(C([C@@]2([C@]3(C=C[C@]([C@@]12[H])(C3)[H])[H])[H])CCCC)(=O)=O)C(=O)OC
SPLASH	splash10-014i-9020000000-e09e6e6271c3eab42e79
Source of Spectrum	F-42-4879-2
Wiley ID	1300731