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7-Bromo-2,3,4,9-tetrahydro-1H-xanthen-1-one
SpectraBase Compound ID IP2WaKE3MuU
InChI InChI=1S/C13H11BrO2/c14-9-4-5-12-8(6-9)7-10-11(15)2-1-3-13(10)16-12/h4-6H,1-3,7H2
InChIKey FEFIOVBFTBABQS-UHFFFAOYSA-N
Mol Weight 279.13 g/mol
Molecular Formula C13H11BrO2
Exact Mass 277.994243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oRsoKy9KRc
Name 7-Bromo-2,3,4,9-tetrahydro-1H-xanthen-1-one
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1735696 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11BrO2
InChI InChI=1S/C13H11BrO2/c14-9-4-5-12-8(6-9)7-10-11(15)2-1-3-13(10)16-12/h4-6H,1-3,7H2
InChIKey FEFIOVBFTBABQS-UHFFFAOYSA-N
Molecular Weight 279.133 g/mol
SMILES C12=C(Oc3c(C2)cc(cc3)Br)CCCC1=O
SPLASH splash10-003s-3090000000-1a62cb5197e02c3d8adf
Source of Spectrum U1-2012-6457-4b
Synonyms 7-Bromanyl-2,3,4,9-tetrahydroxanthen-1-one
Wiley ID 1821251