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(2S,3S)-Cinnamyl 2-bromo-3-methylpentanoate

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

(2S,3S)-Cinnamyl 2-bromo-3-methylpentanoate
SpectraBase Compound ID D3BeT0MSWKv
InChI InChI=1S/C15H19BrO2/c1-3-12(2)14(16)15(17)18-11-7-10-13-8-5-4-6-9-13/h4-10,12,14H,3,11H2,1-2H3/b10-7+/t12-,14-/m0/s1
InChIKey QMADLLZSNSXEEV-IOONSIDKSA-N
Mol Weight 311.22 g/mol
Molecular Formula C15H19BrO2
Exact Mass 310.056843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D4RvvFV3n8U
Name (2S,3S)-Cinnamyl 2-bromo-3-methylpentanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.056842850 u
Formula C15H19BrO2
InChI InChI=1S/C15H19BrO2/c1-3-12(2)14(16)15(17)18-11-7-10-13-8-5-4-6-9-13/h4-10,12,14H,3,11H2,1-2H3/b10-7+/t12-,14-/m0/s1
InChIKey QMADLLZSNSXEEV-IOONSIDKSA-N
Molecular Weight 311.219 g/mol
SMILES C([C@@](Br)([C@](CC)(C)[H])[H])(=O)OC\C=C\C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916891