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Pseudorigidone C
SpectraBase Compound ID 2uXb6d2V2lP
InChI InChI=1S/C16H22O3/c1-9-8-16-11(6-12(9)17)10(2)13(19-16)7-14(16)15(3,4)18-5/h6,8,10,13-14H,7H2,1-5H3/t10-,13+,14-,16+/m0/s1
InChIKey IRUTXQJNOTYYPM-HPGNRBDVSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRkhFJgSDZ6
Name Pseudorigidone C
Alternate Name(s) (1S,2R,4S,4aS)-4-(2-methoxypropan-2-yl)-1,6-dimethyl-1,2,3,4-tetrahydro-7H-2,4a-epoxynaphthalen-7-one
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Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-9-8-16-11(6-12(9)17)10(2)13(19-16)7-14(16)15(3,4)18-5/h6,8,10,13-14H,7H2,1-5H3/t10-,13+,14-,16+/m0/s1
InChIKey IRUTXQJNOTYYPM-HPGNRBDVSA-N
Literature Reference DOI 10.1016/j.tet.2016.04.059
Molecular Weight 262.349 g/mol
SMILES C1=2[C@]3(C=C(C(C2)=O)C)[C@@](C[C@]([C@]1(C)[H])(O3)[H])(C(C)(C)OC)[H]
SPLASH splash10-0229-2940000000-0d30312e88926c4b222b
Source of Spectrum F-72-3269-17
Wiley ID 1805985