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6-Methyl-3-heptyl Acetate
SpectraBase Compound ID ASBWT33E1dm
InChI InChI=1S/C10H20O2/c1-5-10(12-9(4)11)7-6-8(2)3/h8,10H,5-7H2,1-4H3
InChIKey JMJYVXYZYYDGSN-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6H7bK5RpKca
Name 6-Methyl-3-heptyl Acetate
Classification Carboxylic acid esters
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 172.146329882 u
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-5-10(12-9(4)11)7-6-8(2)3/h8,10H,5-7H2,1-4H3
InChIKey JMJYVXYZYYDGSN-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
Number of Peaks 10
SMILES C(C)(=O)OC(CC)CCC(C)C
SPLASH splash10-0006-9000000000-f06299f26feaedc9179a
Source of Spectrum FF-25-482-482_1 (DOI: 10.1002/ffj.2008)
Synonyms 6-Methylheptan-3-yl acetate Acetic acid 6-methylheptan-3-yl ester (1-ethyl-4-methyl-pentyl) acetate 6-Methylheptan-3-yl ethanoate
Wiley ID 1775528