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2,3-Trans-3-bromo-6-methyl-2-phenyltetrahydropyran

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

2,3-Trans-3-bromo-6-methyl-2-phenyltetrahydropyran
SpectraBase Compound ID EmabjAcsFEk
InChI InChI=1S/C12H15BrO/c1-9-7-8-11(13)12(14-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9?,11-,12+/m0/s1
InChIKey KYMSDXBUKOZXHW-CLGJWYQZSA-N
Mol Weight 255.15 g/mol
Molecular Formula C12H15BrO
Exact Mass 254.030628 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6jfaAmL9GvG
Name 2,3-Trans-3-bromo-6-methyl-2-phenyltetrahydropyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.030628102 u
Formula C12H15BrO
InChI InChI=1S/C12H15BrO/c1-9-7-8-11(13)12(14-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9?,11-,12+/m0/s1
InChIKey KYMSDXBUKOZXHW-CLGJWYQZSA-N
Molecular Weight 255.155 g/mol
SMILES [C@]1(OC(CC[C@@]1(Br)[H])C)(C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932464