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PALMITIC ACID, BUTYL ESTER
SpectraBase Compound ID At6Y4btFoQu
InChI InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
InChIKey GLYJVQDYLFAUFC-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VN4mAmqUnN
Name Butylhexadecanoate
CAS Registry Number 111-06-8
Classification Softener
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Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
InChIKey GLYJVQDYLFAUFC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 312.538 g/mol
SMILES C(CCCCCCCCCCCCCC)C(OCCCC)=O
SPLASH splash10-0a4i-9100000000-18b465d1c2632ad8b632
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_160