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1-Methoxyphaseollin
SpectraBase Compound ID IMLllR84hR3
InChI InChI=1S/C21H20O5/c1-21(2)7-6-13-15(26-21)5-4-12-14-10-24-17-9-11(22)8-16(23-3)18(17)20(14)25-19(12)13/h4-9,14,20,22H,10H2,1-3H3/t14-,20+/m0/s1
InChIKey PSJNLMVDUBCKQD-VBKZILBWSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iEHrm6otqp
Name 1-Methoxyphaseollin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-21(2)7-6-13-15(26-21)5-4-12-14-10-24-17-9-11(22)8-16(23-3)18(17)20(14)25-19(12)13/h4-9,14,20,22H,10H2,1-3H3/t14-,20+/m0/s1
InChIKey PSJNLMVDUBCKQD-VBKZILBWSA-N
Molecular Weight 352.386 g/mol
SMILES Oc1cc(c2[C@@]3(Oc4c5c(OC(C=C5)(C)C)ccc4[C@@]3(COc2c1)[H])[H])OC
SPLASH splash10-0f79-0009000000-2c6d5ed27feb67d2c88e
Source of Spectrum E1-42-1061-12
Wiley ID 1552592