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Cromoglycic acid

View entire compound with spectra: 1 NMR, 1 Raman, and 3 MS (GC)

Cromoglycic acid
SpectraBase Compound ID Avm0tOYnNDF
InChI InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)
InChIKey IMZMKUWMOSJXDT-UHFFFAOYSA-N
Mol Weight 468.37 g/mol
Molecular Formula C23H16O11
Exact Mass 468.069261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEH6AMWy9mY
Name Cromolyn in kbr-ethyl acetate extract of sodium salt solution
Comments Computed using HOSE algorithm
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Exact Mass 468.069261324 u
Formula C23H16O11
InChI InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)
InChIKey IMZMKUWMOSJXDT-UHFFFAOYSA-N
Molecular Weight 468.370 g/mol
SMILES OC(COC=1C=2C(C=C(C(=O)O)OC2C=CC1)=O)COC=1C=2C(C=C(C(=O)O)OC2C=CC1)=O