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7-Bromo-4,4a-dihydro-3H-xanthene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

7-Bromo-4,4a-dihydro-3H-xanthene
SpectraBase Compound ID 2fMnORFWX7w
InChI InChI=1S/C13H11BrO/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)15-13/h1,3,5-8,12H,2,4H2
InChIKey MFSJRGBOWZHKCN-UHFFFAOYSA-N
Mol Weight 263.13 g/mol
Molecular Formula C13H11BrO
Exact Mass 261.999328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4H8j7fZZrDP
Name 7-Bromo-4,4A-dihydro-3H-xanthene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.999327973 u
Formula C13H11BrO
InChI InChI=1S/C13H11BrO/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)15-13/h1,3,5-8,12H,2,4H2
InChIKey MFSJRGBOWZHKCN-UHFFFAOYSA-N
Molecular Weight 263.134 g/mol
SMILES C=1(C=C2C(OC3C(=C2)C=CCC3)=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804551