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3-Methylbut-3-en-1-yl cinnamate

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Methylbut-3-en-1-yl cinnamate
SpectraBase Compound ID DMuaBbkGZd4
InChI InChI=1S/C14H16O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9H,1,10-11H2,2H3/b9-8+
InChIKey BJUYLTVRBQUZIH-CMDGGOBGSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9ygutVCLJr
Name 3-Methylbut-3-en-1-yl cinnamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.115029753 u
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9H,1,10-11H2,2H3/b9-8+
InChIKey BJUYLTVRBQUZIH-CMDGGOBGSA-N
Molecular Weight 216.280 g/mol
SMILES C(\C=C\C1=CC=CC=C1)(=O)OCCC(=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973872