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O-methylhiascic acid
SpectraBase Compound ID Fi5sPz62amO
InChI InChI=1S/C25H22O11/c1-10-5-13(24(32)36-17-7-12(3)20(27)22(29)21(17)28)8-16(34-4)19(10)25(33)35-14-6-11(2)18(23(30)31)15(26)9-14/h5-9,26-29H,1-4H3,(H,30,31)
InChIKey XVZFCGKIRZVYPX-UHFFFAOYSA-N
Mol Weight 498.44 g/mol
Molecular Formula C25H22O11
Exact Mass 498.116212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EOSOGTyGLK
Name O-methylhiascic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O11
InChI InChI=1S/C25H22O11/c1-10-5-13(24(32)36-17-7-12(3)20(27)22(29)21(17)28)8-16(34-4)19(10)25(33)35-14-6-11(2)18(23(30)31)15(26)9-14/h5-9,26-29H,1-4H3,(H,30,31)
InChIKey XVZFCGKIRZVYPX-UHFFFAOYSA-N
Molecular Weight 498.440 g/mol
SMILES Oc1cc(OC(c2c(cc(C(Oc3cc(c(c(c3O)O)O)C)=O)cc2OC)C)=O)cc(c1C(=O)O)C
SPLASH splash10-0229-5900000000-84504cd84ac13469e594
Source of Spectrum X2-53-1026-1
Wiley ID 1603677