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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 CeOpLi930xK
Name 1-Heptanol
CAS Registry Number 111-70-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES OCCCCCCC
SPLASH splash10-001i-9000000000-ca84e14d9f7e02f1d0a1
Source of Spectrum F9-1985-829-1
Synonyms 1-Hydroxyheptane Alcohol c-7 C7 alcohol Enanthic alcohol Enanthyl alcohol Fatty alcohol(c7) Gentanol Heptan-1-ol Heptanol Heptane-1-ol Heptyl alcohol Heptyl alcohol, n- Heptyl alcohol, primary Hexyl carbinol Hydroxy heptane l'Alcool n-heptylique primaire N-C7H15OH n-Heptan-1-ol n-Heptanol n-Heptanol-1 n-Heptyl alcohol Pri-N-heptyl alcohol AI3-15363 BRN 1731686 EINECS 203-897-9 EINECS 258-615-7 FEMA NO. 2548 HSDB 1077 NSC 3703
Wiley ID 1565566