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Triacetyl-specionin
SpectraBase Compound ID JJdl3nTPfF7
InChI InChI=1S/C23H20O8/c1-13(24)28-18-7-4-16(5-8-18)20-12-23(27)31-21-11-19(29-14(2)25)9-6-17(21)10-22(20)30-15(3)26/h4-9,11-12,22H,10H2,1-3H3/b20-12-/t22-/m0/s1
InChIKey OARRYMFTDFWZEM-AFHVAHMMSA-N
Mol Weight 424.41 g/mol
Molecular Formula C23H20O8
Exact Mass 424.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFW6yvPPzvl
Name Triacetyl-specionin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O8
InChI InChI=1S/C23H20O8/c1-13(24)28-18-7-4-16(5-8-18)20-12-23(27)31-21-11-19(29-14(2)25)9-6-17(21)10-22(20)30-15(3)26/h4-9,11-12,22H,10H2,1-3H3/b20-12-/t22-/m0/s1
InChIKey OARRYMFTDFWZEM-AFHVAHMMSA-N
Molecular Weight 424.405 g/mol
SMILES [C@]1(\C(=C/C(Oc2cc(ccc2C1)OC(=O)C)=O)c1ccc(OC(=O)C)cc1)(OC(=O)C)[H]
SPLASH splash10-006y-7900000000-a8eca39d1dcfb457d5dc
Source of Spectrum X2-52-1337-7
Wiley ID 1603348