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(3E)-7-tert-butoxy-4-methyl-3-hepten-1-ol

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

(3E)-7-tert-butoxy-4-methyl-3-hepten-1-ol
SpectraBase Compound ID 8UPo6hyEJX6
InChI InChI=1S/C12H24O2/c1-11(7-5-9-13)8-6-10-14-12(2,3)4/h7,13H,5-6,8-10H2,1-4H3/b11-7+
InChIKey DQQLCSIXFNXLCJ-YRNVUSSQSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID eYbkJ5SOiD
Name (3E)-7-Tert-butoxy-4-methyl-3-hepten-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.177630011 u
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-11(7-5-9-13)8-6-10-14-12(2,3)4/h7,13H,5-6,8-10H2,1-4H3/b11-7+
InChIKey DQQLCSIXFNXLCJ-YRNVUSSQSA-N
Molecular Weight 200.322 g/mol
SMILES C(\C=C\(CCCOC(C)(C)C)C)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963068