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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 9NUoS80PkSb
Name 1-HEPTANOL
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
Nominal Mass 116 u
Number of Peaks 57
SMILES C(CCCCO)CC
SPLASH splash10-052f-9000000000-9eb0021e596629dd3ead
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000290