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(E)-5-(4-Bromobut-2-enyloxy)-1-hydroxy-6-(2-methylbut-3-en-2-yloxy)-9H-xanthen-9-one
SpectraBase Compound ID CaffAUpJo4S
InChI InChI=1S/C22H21BrO5/c1-4-22(2,3)28-17-11-10-14-19(25)18-15(24)8-7-9-16(18)27-20(14)21(17)26-13-6-5-12-23/h4-11,24H,1,12-13H2,2-3H3/b6-5+
InChIKey ZCTQGMOIMLYXPT-AATRIKPKSA-N
Mol Weight 445.31 g/mol
Molecular Formula C22H21BrO5
Exact Mass 444.057237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PiInDQSdIc
Name (E)-5-(4-Bromobut-2-enyloxy)-1-hydroxy-6-(2-methylbut-3-en-2-yloxy)-9H-xanthen-9-one
Appearance Yellow solid
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Formula C22H21BrO5
InChI InChI=1S/C22H21BrO5/c1-4-22(2,3)28-17-11-10-14-19(25)18-15(24)8-7-9-16(18)27-20(14)21(17)26-13-6-5-12-23/h4-11,24H,1,12-13H2,2-3H3/b6-5+
InChIKey ZCTQGMOIMLYXPT-AATRIKPKSA-N
Instrument Name Shimadzu GCMS-2010
Ionization Type EI
Literature Reference DOI 10.1021/jm301593r
Molecular Weight 445.309 g/mol
SMILES Oc1cccc2c1C(c1c(c(OC\C=C\CBr)c(cc1)OC(C=C)(C)C)O2)=O
SPLASH splash10-014l-9080000000-660c797434688b581398
Source of Spectrum AF-56-SM10-42
Wiley ID 1854452