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Spiro[2,6-Dimethylbenzene-4-one-1,8'-10'(S)-(3''-benzyloxyprop-2"-yl)-3',6'-dioxabicyclo[5.3.0]dec-1'(7')-en-9'-one]

View entire compound with spectra: 1 MS (GC)

Spiro[2,6-Dimethylbenzene-4-one-1,8'-10'(S)-(3''-benzyloxyprop-2"-yl)-3',6'-dioxabicyclo[5.3.0]dec-1'(7')-en-9'-one]
SpectraBase Compound ID 8Ycz2LctlRa
InChI InChI=1S/C25H28O5/c1-16(13-29-14-19-7-5-4-6-8-19)22-21-15-28-9-10-30-24(21)25(23(22)27)17(2)11-20(26)12-18(25)3/h4-8,11-12,16,22H,9-10,13-15H2,1-3H3/t16?,22-/m0/s1
InChIKey KKEGELPQXWLKFR-XLDIYJRPSA-N
Mol Weight 408.49 g/mol
Molecular Formula C25H28O5
Exact Mass 408.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lfBO6eyizw
Name Spiro[2,6-Dimethylbenzene-4-one-1,8'-10'(S)-(3''-benzyloxyprop-2"-yl)-3',6'-dioxabicyclo[5.3.0]dec-1'(7')-en-9'-one]
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Formula C25H28O5
InChI InChI=1S/C25H28O5/c1-16(13-29-14-19-7-5-4-6-8-19)22-21-15-28-9-10-30-24(21)25(23(22)27)17(2)11-20(26)12-18(25)3/h4-8,11-12,16,22H,9-10,13-15H2,1-3H3/t16?,22-/m0/s1
InChIKey KKEGELPQXWLKFR-XLDIYJRPSA-N
Molecular Weight 408.494 g/mol
SMILES C12(C3=C(COCCO3)[C@@](C1=O)(C(COCc1ccccc1)C)[H])C(=CC(C=C2C)=O)C
SPLASH splash10-0006-9001100000-72291308fd2d5be4ecf5
Source of Spectrum F4-0-3694-41
Synonyms (3'S)-3'-[1-(benzyloxy)propan-2-yl]-2,6-dimethyl-3',4',6',7'-tetrahydro-2'H-spiro[cyclohexane-1,1'-cyclopenta[e][1,4]dioxepine]-2,5-diene-2',4-dione Spiro[2,6-Dimethylbenzene-4-one-1,8'-10'-(3''-benzyloxyprop-2''-yl)-3',6'-dioxabicyclo[5.3.0]dec-1'(7')-en-9'-one]
Wiley ID 1620928