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2H-Pyran-2-one, 6-[1-(acetyloxy)undecyl]tetrahydro-
SpectraBase Compound ID 98csAjkU1SB
InChI InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-12-16(21-15(2)19)17-13-11-14-18(20)22-17/h16-17H,3-14H2,1-2H3
InChIKey SPOXUSGCKOQPRB-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmqUnPWWNmk
Name 2H-Pyran-2-one, 6-[1-(acetyloxy)undecyl]tetrahydro-
CAS Registry Number 81792-36-1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 312.230059506 u
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-12-16(21-15(2)19)17-13-11-14-18(20)22-17/h16-17H,3-14H2,1-2H3
InChIKey SPOXUSGCKOQPRB-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
Number of Peaks 50
RI1 2339
RI2 2012
RI3 2218
RI4 2185
RI5 2301
SMILES C(C)(=O)OC(CCCCCCCCCC)C1CCCC(O1)=O
SPLASH splash10-0007-9300000000-192c586ea084a6d9077e
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2H-Pyran-2-one, 6-[(1R)-1-(acetyloxy)undecyl]tetrahydro
Wiley ID LM_FFNSC3_3264