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ACREMONIN-A;7-ISOPROPENYLBICYCLO-[4.2.0]-OCTA-1,3,5-TRIENE-2,5-DIOL
SpectraBase Compound ID 5QbpOg0I6tW
InChI InChI=1S/C11H12O2/c1-6(2)7-5-8-9(12)3-4-10(13)11(7)8/h3-4,7,12-13H,1,5H2,2H3
InChIKey CHBOVVKYCNAZHG-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Pflo6jGK67
Name 7-Isopropenylbicyclo[4.2.0]octa-1,3,5-triene-2,5-diol
Appearance Yellowish brown viscous oil
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Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-6(2)7-5-8-9(12)3-4-10(13)11(7)8/h3-4,7,12-13H,1,5H2,2H3
InChIKey CHBOVVKYCNAZHG-UHFFFAOYSA-N
Instrument Name Kratos MS 50
Ionization Type EI
Literature Reference DOI 10.1021/np020128p
Molecular Weight 176.215 g/mol
Optical Rotation [a]D23 = +93.0 (c = 1.4, [CH3]2CO)
Reported Formula C11H12O2
SMILES Oc1ccc(c2c1C(C2)C(=C)C)O
SPLASH splash10-004i-1900000000-2adee9405b60c1c47af5
Source of Spectrum G4-65-1610-1
Synonyms acremonin A
Wiley ID 1883454