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Theaspirone
SpectraBase Compound ID Gb9Z3H64zEe
InChI InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3/t10?,13-/m1/s1
InChIKey AXQMCYYCOKLZPP-JLOHTSLTSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kgiy4axmFMH
Name Theaspirone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3/t10?,13-/m1/s1
InChIKey AXQMCYYCOKLZPP-JLOHTSLTSA-N
Molecular Weight 208.301 g/mol
SMILES [C@]12(C(=CC(CC2(C)C)=O)C)OC(C)CC1
SPLASH splash10-0ik9-1900000000-9f24eb1f77ae52b00711
Source of Spectrum U-1994-425-17
Wiley ID 765829