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2-tert-butoxy-3-hexyl-6-pentyl-pyran-4-one
SpectraBase Compound ID 7jCuOVbIVqZ
InChI InChI=1S/C20H34O3/c1-6-8-10-12-14-17-18(21)15-16(13-11-9-7-2)22-19(17)23-20(3,4)5/h15H,6-14H2,1-5H3
InChIKey WSWPYYDFICABSC-UHFFFAOYSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5N7dHhYDs1
Name 2-tert-butoxy-3-hexyl-6-pentyl-pyran-4-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.250794952 u
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-6-8-10-12-14-17-18(21)15-16(13-11-9-7-2)22-19(17)23-20(3,4)5/h15H,6-14H2,1-5H3
InChIKey WSWPYYDFICABSC-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503403
Molecular Weight 322.489 g/mol
Quality 403
Reported Formula C20H34O3
SMILES C=1C(C(=C(OC1CCCCC)OC(C)(C)C)CCCCCC)=O
SPLASH splash10-05mk-4960000000-e9e2c6f5566d237f4e47
Source of Spectrum QE-22-SM16-16-1 (DOI: 10.1002/chem.201503403)
Wiley ID 1902905