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7-Isopropylidene-5-.alpha.(-methylthio)acetyl-3-methyl-2-oxabicyclo[4.3.0]nona-3,8-diene
SpectraBase Compound ID LfEhfvJAWKz
InChI InChI=1S/C14H18O2S/c1-8(2)10-5-6-12-13(10)11(14(15)17-4)7-9(3)16-12/h5-7,11-13H,1-4H3/t11-,12?,13?/m1/s1
InChIKey GNUSOTFYFKTQNZ-PNESKVBLSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Wrq5MVTXEi
Name 7-Isopropylidene-5-.alpha.(-methylthio)acetyl-3-methyl-2-oxabicyclo[4.3.0]nona-3,8-diene
Alternate Name(s) 7-Isopropylidene-5-.alpha.(-methylthio)acetyl-3-methyl-2-oxacyclo[4.3.0]nona-3,8-diene S-methyl (4S)-2-methyl-5-(1-methylethylidene)-4,4a,5,7a-tetrahydrocyclopenta[b]pyran-4-carbothioate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-8(2)10-5-6-12-13(10)11(14(15)17-4)7-9(3)16-12/h5-7,11-13H,1-4H3/t11-,12?,13?/m1/s1
InChIKey GNUSOTFYFKTQNZ-PNESKVBLSA-N
Molecular Weight 250.356 g/mol
SMILES C1(C2[C@@](C=C(OC2C=C1)C)(C(=O)SC)[H])=C(C)C
SPLASH splash10-0udi-0090000000-da697fa4bb0d3de8405d
Source of Spectrum F-53-17659-8
Wiley ID 805037