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[1S-(1.alpha.,6.beta.,10.alpha.)]-10-bromo-3,3,5,5,9-pentamethyl-2,4-dioxabicyclo[4.4.0]dec-8-ene

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[1S-(1.alpha.,6.beta.,10.alpha.)]-10-bromo-3,3,5,5,9-pentamethyl-2,4-dioxabicyclo[4.4.0]dec-8-ene
SpectraBase Compound ID 3WxnqqbvM52
InChI InChI=1S/C13H21BrO2/c1-8-6-7-9-11(10(8)14)15-13(4,5)16-12(9,2)3/h6,9-11H,7H2,1-5H3/t9-,10+,11+/m1/s1
InChIKey ALOHJYPXPRBDJU-VWYCJHECSA-N
Mol Weight 289.21 g/mol
Molecular Formula C13H21BrO2
Exact Mass 288.072493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9YO4bzL6Vke
Name [1S-(1.alpha.,6.beta.,10.alpha.)]-10-bromo-3,3,5,5,9-pentamethyl-2,4-dioxabicyclo[4.4.0]dec-8-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.072492914 u
Formula C13H21BrO2
InChI InChI=1S/C13H21BrO2/c1-8-6-7-9-11(10(8)14)15-13(4,5)16-12(9,2)3/h6,9-11H,7H2,1-5H3/t9-,10+,11+/m1/s1
InChIKey ALOHJYPXPRBDJU-VWYCJHECSA-N
SMILES [C@@]12([C@](C(C)(C)OC(O2)(C)C)(CC=C([C@@]1(Br)[H])C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913054