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Phenethylamine
SpectraBase Compound ID HsOkdmOrI1t
InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey BHHGXPLMPWCGHP-UHFFFAOYSA-N
Mol Weight 121.18 g/mol
Molecular Formula C8H11N
Exact Mass 121.089149 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KtHx7hWycfB
Name Phenethylamine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 71750-39-5; 503-74-2; 156-28-5
ChEBI ID 18397
Comments 100 mM Phenethylamine - 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 C8 H11 N
IUPAC Name 2-phenylethanamine; 2-phenylethylamine
InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey BHHGXPLMPWCGHP-UHFFFAOYSA-N
KEGG Compound ID C05332
KEGG Pathways PATH: ko00360 Phenylalanine metabolism
PubChem Compound ID 1001
SMILES C1=CC=C(C=C1)CCN
Source File Reference bmse000377