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7-Isopropylidene-5-.alpha.(-methylthio)acetyl-3-isopropyl-2-oxabicyclo[4.3.0]nona-3,8-diene
SpectraBase Compound ID i1FPLGzybI
InChI InChI=1S/C16H22O2S/c1-9(2)11-6-7-13-15(11)12(16(17)19-5)8-14(18-13)10(3)4/h6-8,10,12-13,15H,1-5H3/t12-,13?,15?/m1/s1
InChIKey VXRJSGKEIZNGIW-DNOWBOINSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCBP7akIXQD
Name 7-Isopropylidene-5-.alpha.(-methylthio)acetyl-3-isopropyl-2-oxabicyclo[4.3.0]nona-3,8-diene
Alternate Name(s) 7-Isopropylidene-5-.alpha.(-methylthio)acetyl-3-isopropyl-2-oxacyclo[4.3.0]nona-3,8-diene S-methyl (4S)-2-isopropyl-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 C16H22O2S
InChI InChI=1S/C16H22O2S/c1-9(2)11-6-7-13-15(11)12(16(17)19-5)8-14(18-13)10(3)4/h6-8,10,12-13,15H,1-5H3/t12-,13?,15?/m1/s1
InChIKey VXRJSGKEIZNGIW-DNOWBOINSA-N
Molecular Weight 278.410 g/mol
SMILES [C@]1(C2C(C=CC2OC(=C1)C(C)C)=C(C)C)(C(=O)SC)[H]
SPLASH splash10-001i-0090000000-2df1b342701f364e4970
Source of Spectrum F-53-17659-8
Wiley ID 805036