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TAURIN-A
SpectraBase Compound ID LfXL3klrFVp
InChI InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-10,13H,4-7H2,1-3H3/t9-,10-,13-,15-/m0/s1
InChIKey RSDQBPGKMDFRHH-MJVIGCOGSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Awv4dnutvxG
Name (3S,3aS,5aR,9bS)-3,5a,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g]benzofuran-2,6-dione
Alternate Name(s) (3S,3aS,5aR,9bS)-3,5a,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g]benzofuran-2,6-quinone (3S,3aS,5aR,9bS)-3,5a,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione (3S,3aS,5aR,9bS)-3,5a,9-trimethyl-3a,5,5a,7,8,9b-hexahydronaphtho[1,2-b]furan-2,6(3H,4H)-dione
CAS Registry Number 95723-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-10,13H,4-7H2,1-3H3/t9-,10-,13-,15-/m0/s1
InChIKey RSDQBPGKMDFRHH-MJVIGCOGSA-N
Molecular Weight 248.322 g/mol
SMILES C1=2[C@]3(OC(=O)[C@]([C@]3([H])CC[C@]1(C(=O)CCC2C)C)(C)[H])[H]
SPLASH splash10-05mo-9300000000-cea5632da423b619d5fa
Source of Spectrum F-40-4379-0
Wiley ID 1251298