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[2-{4'-(Formylhexahydro-5-[(tetrahydro-2H-pyran-2"-yl)oxy]-(1H)-pentanylidene]ethoxy}-1,1-dimethylethyl acetate
SpectraBase Compound ID InMlWqjk6ap
InChI InChI=1S/C22H34O6/c1-22(2,3)28-20(24)14-25-9-7-15-10-16-12-19(18(13-23)17(16)11-15)27-21-6-4-5-8-26-21/h7,13,16-19,21H,4-6,8-12,14H2,1-3H3/b15-7+/t16-,17-,18+,19+,21?/m0/s1
InChIKey NRESYFLYQLLUCV-KRPVZCCXSA-N
Mol Weight 394.5 g/mol
Molecular Formula C22H34O6
Exact Mass 394.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBgYlGiB5cI
Name [2-{4'-(Formylhexahydro-5-[(tetrahydro-2H-pyran-2"-yl)oxy]-(1H)-pentanylidene]ethoxy}-1,1-dimethylethyl acetate
Alternate Name(s) [2-{4'-(Formylhexahydro-5-[(tetrahydro-2H-pyran-2''-yl)oxy]-(1H)-pentanylidene]ethoxy}-1,1-dimethylethyl acetate {2-[(3aS,4R,5R,6aS)-4-Formyl-5-(2H-pyran-2-yloxy)-hexahydro-pentalen-(2E)-ylidene]-ethoxy}-acetic acid tert-butyl ester
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Formula C22H34O6
InChI InChI=1S/C22H34O6/c1-22(2,3)28-20(24)14-25-9-7-15-10-16-12-19(18(13-23)17(16)11-15)27-21-6-4-5-8-26-21/h7,13,16-19,21H,4-6,8-12,14H2,1-3H3/b15-7+/t16-,17-,18+,19+,21?/m0/s1
InChIKey NRESYFLYQLLUCV-KRPVZCCXSA-N
Molecular Weight 394.508 g/mol
SMILES [C@]12([C@]([C@](OC3OCCCC3)(C[C@@]1(C\C(C2)=C/COCC(OC(C)(C)C)=O)[H])[H])(C=O)[H])[H]
SPLASH splash10-000i-9100000000-49e4a60ff66135c2d336
Source of Spectrum U-1997-2440-24
Wiley ID 820296