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3-Octanol acetate

View entire compound with spectra: 2 NMR, 4 FTIR, and 10 MS (GC)

3-Octanol acetate
SpectraBase Compound ID GWH9TGE1FJ9
InChI InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
InChIKey STZUZYMKSMSTOU-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2x6K2XTu2oW
Name 3-Octyl acetate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W358304
CAS Registry Number 4864-61-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
InChIKey STZUZYMKSMSTOU-UHFFFAOYSA-N
Observed nucleus 13C
Purity >=98%, FCC, FG
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Octanol, acetate Amyl ethyl carbinyl acetate
Wiley ID SIAL_13CNMR_013215