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9-(3-Bromo-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
SpectraBase Compound ID 8J00a5DjH7A
InChI InChI=1S/C19H17BrO3/c20-12-5-1-4-11(10-12)17-18-13(21)6-2-8-15(18)23-16-9-3-7-14(22)19(16)17/h1,4-5,10,17H,2-3,6-9H2
InChIKey PLIDJIBQOLLCGG-UHFFFAOYSA-N
Mol Weight 373.25 g/mol
Molecular Formula C19H17BrO3
Exact Mass 372.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3H2JUxHKmw
Name 9-(3-Bromo-phenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17BrO3
InChI InChI=1S/C19H17BrO3/c20-12-5-1-4-11(10-12)17-18-13(21)6-2-8-15(18)23-16-9-3-7-14(22)19(16)17/h1,4-5,10,17H,2-3,6-9H2
InChIKey PLIDJIBQOLLCGG-UHFFFAOYSA-N
Molecular Weight 373.246 g/mol
SMILES C1=2C(C=3C(=O)CCCC3OC2CCCC1=O)c1cc(Br)ccc1
SPLASH splash10-014i-2891000000-80cc9caf777d386a4be8
Synonyms 9-(3-Bromophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione 9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone
Wiley ID 1466041