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Microdiplodiasone
SpectraBase Compound ID 5hQPcL9qDsG
InChI InChI=1S/C14H14O6/c1-14(11-2-3-12(18)19-11)6-9(17)13-8(16)4-7(15)5-10(13)20-14/h4-5,11,15-16H,2-3,6H2,1H3/t11-,14-/m1/s1
InChIKey KYUNATJAFQPBJE-BXUZGUMPSA-N
Mol Weight 278.26 g/mol
Molecular Formula C14H14O6
Exact Mass 278.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cCy36pWoRv
Name Microdiplodiasone
Appearance Yellow gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O6
InChI InChI=1S/C14H14O6/c1-14(11-2-3-12(18)19-11)6-9(17)13-8(16)4-7(15)5-10(13)20-14/h4-5,11,15-16H,2-3,6H2,1H3/t11-,14-/m1/s1
InChIKey KYUNATJAFQPBJE-BXUZGUMPSA-N
Instrument Name MAT 8200
Ionization Type EI
Literature Reference DOI 10.1021/np100730b
Molecular Weight 278.260 g/mol
Optical Rotation [a]D29 = +14 (c = 0.10, MeOH);
Reported Formula C15H16O6
SMILES Oc1cc(c2c(c1)O[C@@](CC2=O)(C)[C@@]1(OC(CC1)=O)[H])O
SPLASH splash10-00di-7290000000-1f583329ad24506cbbde
Source of Spectrum G4-74-371-3
Wiley ID 1849056