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8-Hydroxy-3-(4-hydroxypentyl)isochroman-1-one, diacetate

View entire compound with spectra: 1 NMR

8-Hydroxy-3-(4-hydroxypentyl)isochroman-1-one, diacetate
SpectraBase Compound ID 5C1P48hd2y3
InChI InChI=1S/C18H22O6/c1-11(22-12(2)19)6-4-8-15-10-14-7-5-9-16(23-13(3)20)17(14)18(21)24-15/h5,7,9,11,15H,4,6,8,10H2,1-3H3
InChIKey UTCSTEASWFCWLO-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GiHNZU2mSlg
Name 8-Hydroxy-3-(4-hydroxypentyl)isochroman-1-one, diacetate
Comments Computed using HOSE algorithm
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Exact Mass 334.141638422 u
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-11(22-12(2)19)6-4-8-15-10-14-7-5-9-16(23-13(3)20)17(14)18(21)24-15/h5,7,9,11,15H,4,6,8,10H2,1-3H3
InChIKey UTCSTEASWFCWLO-UHFFFAOYSA-N
Molecular Weight 334.368 g/mol
SMILES C1(OC(CC2=C1C(=CC=C2)OC(C)=O)CCCC(C)OC(C)=O)=O