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1-Propanol
SpectraBase Compound ID 7gtXlA6hxFo
InChI InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKey BDERNNFJNOPAEC-UHFFFAOYSA-N
Mol Weight 60.1 g/mol
Molecular Formula C3H8O
Exact Mass 60.057515 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4EMweMAyDw1
Name Propanol
Acquisition Mode SIMULTANEOUS
CAS Registry Number 71-23-8
ChEBI ID 28831
Comments 100 mM propanol - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C3 H8 O
IUPAC Name propan-1-ol
InChI InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKey BDERNNFJNOPAEC-UHFFFAOYSA-N
KEGG Compound ID C05979
KEGG Pathways PATH: ko00561 Glycerolipid metabolism
PubChem Compound ID 1031
SMILES CCCO
Source File Reference bmse000446