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5.beta.-Isobutyryl-9-methylthio-2-oxa-3-oxotricyclo[4.2.1.0(4,8)]nonane
SpectraBase Compound ID DvAk4Xn2DzW
InChI InChI=1S/C14H20O3S/c1-6(2)4-9(15)10-8-5-7-11(10)14(16)17-12(7)13(8)18-3/h6-8,10-13H,4-5H2,1-3H3/t7-,8+,10-,11-,12+,13?/m0/s1
InChIKey XLSSIIRVLQAYAI-XAUBUPTRSA-N
Mol Weight 268.37 g/mol
Molecular Formula C14H20O3S
Exact Mass 268.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSAl2olyPey
Name 5.beta.-Isobutyryl-9-methylthio-2-oxa-3-oxotricyclo[4.2.1.0(4,8)]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3S
InChI InChI=1S/C14H20O3S/c1-6(2)4-9(15)10-8-5-7-11(10)14(16)17-12(7)13(8)18-3/h6-8,10-13H,4-5H2,1-3H3/t7-,8+,10-,11-,12+,13?/m0/s1
InChIKey XLSSIIRVLQAYAI-XAUBUPTRSA-N
Molecular Weight 268.371 g/mol
SMILES C1([C@@]2([C@@]([C@@]3(C([C@](O1)([C@]2(C3)[H])[H])SC)[H])(C(CC(C)C)=O)[H])[H])=O
SPLASH splash10-004i-0890000000-cb468395ae8f28ab5ee4
Source of Spectrum QA-43-286-6c
Wiley ID 862300