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(4S)-{[(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonylthio}-4,5-dihydro-2(3H)-furanone
SpectraBase Compound ID HuCsbPnMouE
InChI InChI=1S/C14H18O5S/c1-12(2)13(3)4-5-14(12,19-10(13)16)11(17)20-8-6-9(15)18-7-8/h8H,4-7H2,1-3H3/t8-,13-,14+/m0/s1
InChIKey JIWOPNDZCVGVCI-ULCPSODYSA-N
Mol Weight 298.35 g/mol
Molecular Formula C14H18O5S
Exact Mass 298.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALB0P0TrXeZ
Name (4S)-{[(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonylthio}-4,5-dihydro-2(3H)-furanone
Alternate Name(s) (4RS)-{[(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonylthio}-4,5-dihydro-2(3H)-furanone S-[(3S)-5-oxotetrahydro-3-furanyl](1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbothioate
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Formula C14H18O5S
InChI InChI=1S/C14H18O5S/c1-12(2)13(3)4-5-14(12,19-10(13)16)11(17)20-8-6-9(15)18-7-8/h8H,4-7H2,1-3H3/t8-,13-,14+/m0/s1
InChIKey JIWOPNDZCVGVCI-ULCPSODYSA-N
Molecular Weight 298.353 g/mol
SMILES [C@@]12(OC(=O)[C@](C2(C)C)(C)CC1)C(S[C@]1(CC(=O)OC1)[H])=O
SPLASH splash10-003r-9400000000-60233da7ed34346405f6
Source of Spectrum K1-2004-1495-18
Wiley ID 1560592