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7,11b-dihydrobenz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentol, hydrated
SpectraBase Compound ID GoBViWT7TdT
InChI InChI=1S/C16H14O6.H2O/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20;/h1-4,13,17-21H,5-6H2;1H2/t13-,16+;/m0./s1
InChIKey LGXJYAQCRCHDMY-MELYUZJYSA-N
Mol Weight 320.297 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAyPw0APbNV
Name 7,11b-dihydrobenz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentol, hydrated
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Formula C16H16O7
InChI InChI=1S/C16H14O6.H2O/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20;/h1-4,13,17-21H,5-6H2;1H2/t13-,16+;/m0./s1
InChIKey LGXJYAQCRCHDMY-MELYUZJYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 53632M
Solvent Polysol