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2-Pentenoic acid, 2,4-dimethyl-, 3-methyl-2-butenyl ester, (E)-

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

2-Pentenoic acid, 2,4-dimethyl-, 3-methyl-2-butenyl ester, (E)-
SpectraBase Compound ID Imk4kODYNsM
InChI InChI=1S/C12H20O2/c1-9(2)6-7-14-12(13)11(5)8-10(3)4/h6,8,10H,7H2,1-5H3/b11-8+
InChIKey HKTAYJPMNDAYJQ-DHZHZOJOSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ds7ovS9kOfv
Name 2-Pentenoic acid, 2,4-dimethyl-, 3-methyl-2-butenyl ester, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-9(2)6-7-14-12(13)11(5)8-10(3)4/h6,8,10H,7H2,1-5H3/b11-8+
InChIKey HKTAYJPMNDAYJQ-DHZHZOJOSA-N
Molecular Weight 196.290 g/mol
SMILES C(\C(=C\C(C)C)C)(=O)OCC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953817