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Methyl 2-endo-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate

View entire compound with spectra: 1 FTIR

Methyl 2-endo-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate
SpectraBase Compound ID 4kRSZK6HSAI
InChI InChI=1S/C12H17BrO3/c1-10(2)7-5-6-11(10,3)8(14)12(7,13)9(15)16-4/h7H,5-6H2,1-4H3/t7-,11-,12?/m0/s1
InChIKey RFWJUCHVNXKOGR-KBCWANFGSA-N
Mol Weight 289.17 g/mol
Molecular Formula C12H17BrO3
Exact Mass 288.036107 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5qSq3J9LTu7
Name Methyl 2-endo-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.036107404 u
Formula C12H17BrO3
InChI InChI=1S/C12H17BrO3/c1-10(2)7-5-6-11(10,3)8(14)12(7,13)9(15)16-4/h7H,5-6H2,1-4H3/t7-,11-,12?/m0/s1
InChIKey RFWJUCHVNXKOGR-KBCWANFGSA-N
SMILES C1(C([C@@]2(C)C([C@@]1(CC2)[H])(C)C)=O)(C(=O)OC)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913125