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5-(endo)-methoxy-7-(anti)-phenylthiobicyclo[2.2.1]heptan-2-one
SpectraBase Compound ID BmDrpwX8XV8
InChI InChI=1S/C14H16O2S/c1-16-13-8-10-12(15)7-11(13)14(10)17-9-5-3-2-4-6-9/h2-6,10-11,13-14H,7-8H2,1H3/t10-,11-,13?,14?/m1/s1
InChIKey KGJCVSFONHHNGR-IENTYSSBSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70gzQ5nkxr4
Name 5-(endo)-methoxy-7-(anti)-phenylthiobicyclo[2.2.1]heptan-2-one
Alternate Name(s) 5-Methoxy-7-(phenylsulfanyl)bicyclo[2.2.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c1-16-13-8-10-12(15)7-11(13)14(10)17-9-5-3-2-4-6-9/h2-6,10-11,13-14H,7-8H2,1H3/t10-,11-,13?,14?/m1/s1
InChIKey KGJCVSFONHHNGR-IENTYSSBSA-N
Molecular Weight 248.340 g/mol
SMILES C1([C@]2(C(=O)C[C@@]1(C(OC)C2)[H])[H])Sc1ccccc1
SPLASH splash10-052k-0950000000-922d8c322db127ba0821
Source of Spectrum KC-1991-1797-12
Wiley ID 1251017