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(E)-2,5-Dimethyl-1,5-heptadien-3-ol acetate

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

(E)-2,5-Dimethyl-1,5-heptadien-3-ol acetate
SpectraBase Compound ID LupOF3dmXnX
InChI InChI=1S/C11H18O2/c1-6-9(4)7-11(8(2)3)13-10(5)12/h6,11H,2,7H2,1,3-5H3/b9-6+
InChIKey IVDNKPKCVOXPIO-RMKNXTFCSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4a0YO2vCGfK
Name (E)-2,5-Dimethyl-1,5-heptadien-3-ol acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-6-9(4)7-11(8(2)3)13-10(5)12/h6,11H,2,7H2,1,3-5H3/b9-6+
InChIKey IVDNKPKCVOXPIO-RMKNXTFCSA-N
Molecular Weight 182.263 g/mol
SMILES C(OC(=O)C)(C(=C)C)C\C(=C\C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969174