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(3a'S,6a'S)-4'-[4-(Benzyloxy)butyl]-2',3',3a',6a'-tetrahydro-6'H-spiro[1,3-dioxolane-2,1'-pentalen]-6'-one
SpectraBase Compound ID GKjFLjFw7y5
InChI InChI=1S/C21H26O4/c22-19-14-17(18-9-10-21(20(18)19)24-12-13-25-21)8-4-5-11-23-15-16-6-2-1-3-7-16/h1-3,6-7,14,18,20H,4-5,8-13,15H2/t18-,20+/m1/s1
InChIKey GOTUVIJOCSGWSY-QUCCMNQESA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvDOcyuMXwn
Name (3a'S,6a'S)-4'-[4-(Benzyloxy)butyl]-2',3',3a',6a'-tetrahydro-6'H-spiro[1,3-dioxolane-2,1'-pentalen]-6'-one
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Formula C21H26O4
InChI InChI=1S/C21H26O4/c22-19-14-17(18-9-10-21(20(18)19)24-12-13-25-21)8-4-5-11-23-15-16-6-2-1-3-7-16/h1-3,6-7,14,18,20H,4-5,8-13,15H2/t18-,20+/m1/s1
InChIKey GOTUVIJOCSGWSY-QUCCMNQESA-N
Molecular Weight 342.435 g/mol
SMILES [C@@]12(C(C=C([C@]2(CCC11OCCO1)[H])CCCCOCc1ccccc1)=O)[H]
SPLASH splash10-0005-9011000000-d7ac09619d11bbabc530
Source of Spectrum F-69-7378-28
Synonyms 4'-[4-(Benzyloxy)butyl]-2',3',3a',6a'-tetrahydro-6'H-spiro[1,3-dioxolane-2,1'-pentalen]-6'-one (3a'S,6a'S)-4'-(4-(benzyloxy)butyl)-3',3a'-dihydro-2'H-spiro[[1,3]dioxolane-2,1'-pentalen]-6'(6a'H)-one
Wiley ID 1738300