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Phenol, 2-[3,4-dihydro-7-(methoxymethoxy)-2H-1-benzopyran-3-yl]-5-methoxy-, (S)-
SpectraBase Compound ID AKqewrimebi
InChI InChI=1S/C18H20O5/c1-20-11-23-15-4-3-12-7-13(10-22-18(12)9-15)16-6-5-14(21-2)8-17(16)19/h3-6,8-9,13,19H,7,10-11H2,1-2H3/t13-/m1/s1
InChIKey MLIWQSZXOGQNGD-CYBMUJFWSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DR31shekf46
Name Phenol, 2-[3,4-dihydro-7-(methoxymethoxy)-2H-1-benzopyran-3-yl]-5-methoxy-, (S)-
Comments Computed using HOSE algorithm
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Exact Mass 316.131073739 u
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-20-11-23-15-4-3-12-7-13(10-22-18(12)9-15)16-6-5-14(21-2)8-17(16)19/h3-6,8-9,13,19H,7,10-11H2,1-2H3/t13-/m1/s1
InChIKey MLIWQSZXOGQNGD-CYBMUJFWSA-N
Molecular Weight 316.353 g/mol
SMILES C=1(C(=CC(=CC1)OC)O)[C@@]1(CC2=CC=C(C=C2OC1)OCOC)[H]