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1,9-Tetradecanediol, 1-acetate
SpectraBase Compound ID ESMbQws16EO
InChI InChI=1S/C16H32O3/c1-3-4-9-12-16(18)13-10-7-5-6-8-11-14-19-15(2)17/h16,18H,3-14H2,1-2H3
InChIKey LYXBHVZHPWZSGB-UHFFFAOYSA-N
Mol Weight 272.4 g/mol
Molecular Formula C16H32O3
Exact Mass 272.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jRnertAvHd
Name 1,9-Tetradecanediol, 1-acetate
Alternate Name(s) 9-Hydroxyhexadecan-1-yl acetate 9-Hydroxytetradecyl acetate
CAS Registry Number 84867-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H32O3
InChI InChI=1S/C16H32O3/c1-3-4-9-12-16(18)13-10-7-5-6-8-11-14-19-15(2)17/h16,18H,3-14H2,1-2H3
InChIKey LYXBHVZHPWZSGB-UHFFFAOYSA-N
Molecular Weight 272.429 g/mol
SMILES OC(CCCCCCCCOC(=O)C)CCCCC
SPLASH splash10-0h90-0930000000-331eb57c8668c5e25536
Source of Spectrum KO-12-205-27
Wiley ID 1276389