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METHYL-(1R,3AR)-5-METHOXY-3A-(3'-METHYLBUT-2'-ENYL)-3-OXO-2,3,3A,6-TETRAHYDRO-1H-INDENE-1-CARBOXYLATE
SpectraBase Compound ID HSPnOIZIr1N
InChI InChI=1S/C17H22O4/c1-11(2)7-8-17-10-12(20-3)5-6-14(17)13(9-15(17)18)16(19)21-4/h6-7,10,13H,5,8-9H2,1-4H3/t13-,17-/m1/s1
InChIKey GVUIOPBHDFTDFA-CXAGYDPISA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DL5WlSjTvto
Name Methyl (1R*,3aR*)-5-methoxy-3a-(3'-methylbut-2'-enyl)-3-oxo-2,3,3a,6-tetrahydro-1H-indene-1-carboxylate
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Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-11(2)7-8-17-10-12(20-3)5-6-14(17)13(9-15(17)18)16(19)21-4/h6-7,10,13H,5,8-9H2,1-4H3/t13-,17-/m1/s1
InChIKey GVUIOPBHDFTDFA-CXAGYDPISA-N
Molecular Weight 290.359 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(CC2=O)[H])=CCC(=C1)OC)CC=C(C)C
SPLASH splash10-03k9-2960000000-cef0af8f7dd1b64dd9a6
Source of Spectrum B-45-227-0
Synonyms Methyl (1R,3aR)-5-methoxy-3a-(3-methyl-2-butenyl)-3-oxo-2,3,3a,6-tetrahydro-1H-indene-1-carboxylate
Wiley ID 1293763