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HEPTANOIC ACID, OCTYL ESTER

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HEPTANOIC ACID, OCTYL ESTER
SpectraBase Compound ID DlSQi4dA7cp
InChI InChI=1S/C15H30O2/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h3-14H2,1-2H3
InChIKey XAZROQGRFWCMBU-UHFFFAOYSA-N
Mol Weight 242.4 g/mol
Molecular Formula C15H30O2
Exact Mass 242.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1AZjgpixsd
Name HEPTANOIC ACID, OCTYL ESTER
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 242.224580204 u
Formula C15H30O2
InChI InChI=1S/C15H30O2/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h3-14H2,1-2H3
InChIKey XAZROQGRFWCMBU-UHFFFAOYSA-N
Molecular Weight 242.403 g/mol
Nominal Mass 242 u
Number of Peaks 68
SMILES C(CCCC(OCCCCCCCC)=O)CC
SPLASH splash10-06rx-9200000000-146879d22fcc5e9d4525
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000398