SpectraBase Compound ID | CrXVR84MLXZ |
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InChI | InChI=1S/C14H21NO2/c1-3-4-10-15-13(14(16)17-2)11-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3 |
InChIKey | KSSYFLBKFSTZDB-UHFFFAOYSA-N |
Mol Weight | 235.33 g/mol |
Molecular Formula | C14H21NO2 |
Exact Mass | 235.157229 g/mol |
SpectraBase Spectrum ID | JMe3nqfnZP2 |
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Name | 2-(Butylamino)-3-phenyl-propionic acid methyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 235.157228918 u |
Formula | C14H21NO2 |
InChI | InChI=1S/C14H21NO2/c1-3-4-10-15-13(14(16)17-2)11-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3 |
InChIKey | KSSYFLBKFSTZDB-UHFFFAOYSA-N |
Molecular Weight | 235.327 g/mol |
SMILES | C(C(CC1=CC=CC=C1)NCCCC)(=O)OC |