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8-(6'-Hydroxy-3',7'-dimethyl-2',7'-dienyloxy)-Psoralen
SpectraBase Compound ID JrgTCK1dxoq
InChI InChI=1S/C21H22O5/c1-14(5-4-10-21(2,3)23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
InChIKey YOQCKFCFAJIRRT-OVXNXNIRSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID niy9KLZDFf
Name 8-(6'-Hydroxy-3',7'-dimethyl-2',7'-dienyloxy)-Psoralen
Alternate Name(s) 9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-7-furo[3,2-g][1]benzopyranone 9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one 9-[(2E,5E)-3,7-dimethyl-7-oxidanyl-octa-2,5-dienoxy]furo[3,2-g]chromen-7-one
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Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-14(5-4-10-21(2,3)23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
InChIKey YOQCKFCFAJIRRT-OVXNXNIRSA-N
Molecular Weight 354.402 g/mol
SMILES OC(\C=C\C\C(=C\COc1c2OC(=O)C=Cc2cc2ccoc12)C)(C)C
SPLASH splash10-0udi-0590000000-643862f4734a7e68acf4
Source of Spectrum X2-55-857-15
Wiley ID 1604528