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1-Heptanol

View entire compound with spectra: 17 NMR, 15 FTIR, 1 Raman, 46 MS (GC), and 2 Near IR

1-Heptanol
SpectraBase Compound ID 1hLCYr0I9Tp
InChI InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey BBMCTIGTTCKYKF-UHFFFAOYSA-N
Mol Weight 116.2 g/mol
Molecular Formula C7H16O
Exact Mass 116.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wyLSaBIaRG
Name Heptanol
Source of Sample SAFC Cat. #W254800
CAS Registry Number 111-70-6
Classification Solvents
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 116.120115134 u
Formula C7H16O
InChI InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey BBMCTIGTTCKYKF-UHFFFAOYSA-N
Molecular Weight 116.204 g/mol
Number of Peaks 44
RI1 970
SMILES OCCCCCCC
SPLASH splash10-0596-9000000000-4b0968c8f209e2986238
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Heptanol
Wiley ID LM_PEST_1206