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(3R,1'S,4'R,7'R)-5'-Methyl-7'-(1-methylethyl)-spiro[2H,4H-[1]benzopyrano-3,2'-bicyclo[2.2.2]oct-5'-ene]-2,4-dione

View entire compound with spectra: 1 MS (GC)

(3R,1'S,4'R,7'R)-5'-Methyl-7'-(1-methylethyl)-spiro[2H,4H-[1]benzopyrano-3,2'-bicyclo[2.2.2]oct-5'-ene]-2,4-dione
SpectraBase Compound ID JYEiynfU3hc
InChI InChI=1S/C20H22O3/c1-11(2)15-9-13-10-20(16(15)8-12(13)3)18(21)14-6-4-5-7-17(14)23-19(20)22/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-,15-,16+,20+/m0/s1
InChIKey AFIWQMOSDUYIFT-WBZSCFCESA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2y3GHHWkanu
Name (3R,1'S,4'R,7'R)-5'-Methyl-7'-(1-methylethyl)-spiro[2H,4H-[1]benzopyrano-3,2'-bicyclo[2.2.2]oct-5'-ene]-2,4-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O3
InChI InChI=1S/C20H22O3/c1-11(2)15-9-13-10-20(16(15)8-12(13)3)18(21)14-6-4-5-7-17(14)23-19(20)22/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-,15-,16+,20+/m0/s1
InChIKey AFIWQMOSDUYIFT-WBZSCFCESA-N
Molecular Weight 310.393 g/mol
SMILES [C@@]12(C(Oc3c(C2=O)cccc3)=O)[C@@]2(C=C(C)[C@](C1)(C[C@]2(C(C)C)[H])[H])[H]
SPLASH splash10-004i-0900000000-09f308056f7728afa1e0
Source of Spectrum J-59-5564-30
Synonyms 5-methyl-7-(propan-2-yl)-2,4-dihydrospiro[1-benzopyran-3,2'-bicyclo[2.2.2]octan]-5'-ene-2,4-dione
Wiley ID 1311886