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Cyclohexanol, 3-(2-bromoethyl)-2,2,6-trimethyl-, acetate

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

Cyclohexanol, 3-(2-bromoethyl)-2,2,6-trimethyl-, acetate
SpectraBase Compound ID 4m8DCWHAc95
InChI InChI=1S/C13H23BrO2/c1-9-5-6-11(7-8-14)13(3,4)12(9)16-10(2)15/h9,11-12H,5-8H2,1-4H3/t9?,11-,12?/m1/s1
InChIKey NJDKFOLZUQLMKW-CKBZRRDASA-N
Mol Weight 291.23 g/mol
Molecular Formula C13H23BrO2
Exact Mass 290.088143 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 84u33TvRa4
Name Cyclohexanol, 3-(2-bromoethyl)-2,2,6-trimethyl-, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.088142979 u
Formula C13H23BrO2
InChI InChI=1S/C13H23BrO2/c1-9-5-6-11(7-8-14)13(3,4)12(9)16-10(2)15/h9,11-12H,5-8H2,1-4H3/t9?,11-,12?/m1/s1
InChIKey NJDKFOLZUQLMKW-CKBZRRDASA-N
SMILES C1(C(OC(=O)C)C(C)CC[C@@]1(CCBr)[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86867