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Heptanal

View entire compound with spectra: 8 NMR, 12 FTIR, 1 Raman, 37 MS (GC), and 2 Near IR

Heptanal
SpectraBase Compound ID 9M2RcXVjtVD
InChI InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChIKey FXHGMKSSBGDXIY-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0o7CvawqXy
Name Heptanal
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 114.104465070 u
Formula C7H14O
InChI InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChIKey FXHGMKSSBGDXIY-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.10023
Molecular Weight 114.188 g/mol
Number of Peaks 5
SMILES C(=O)CCCCCC
SPLASH splash10-0ab9-9000000000-ff5d06c534b35ff4d703
Source of Spectrum SFA-100-947-Heptanal (DOI: 10.1002/jsfa.10023)
Wiley ID 1838720