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3-Heptanone, 5-methyl-
SpectraBase Compound ID B92rbdsziiO
InChI InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey PSBKJPTZCVYXSD-UHFFFAOYSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtxdQVpuBkC
Name Heptanone <5-methyl-3->
CAS Registry Number 541-85-5
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 128.120115134 u
Formula C8H16O
InChI InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey PSBKJPTZCVYXSD-UHFFFAOYSA-N
Molecular Weight 128.215 g/mol
Number of Peaks 50
RI1 938
RI2 615
SMILES CC(CC(CC)=O)CC
SPLASH splash10-05fu-9000000000-a61e40947ed42064d67a
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 3-Heptanone, 5-methyl-
Wiley ID LM_FFNSC3_2039