SpectraBase Compound ID | 1fC0zZzPR5J |
---|---|
InChI | InChI=1S/C17H25NO4/c1-3-4-5-6-12-22-16(19)10-11-18-17(20)14-8-7-9-15(13-14)21-2/h7-9,13H,3-6,10-12H2,1-2H3,(H,18,20) |
InChIKey | ICBQEPSZEMDQMZ-UHFFFAOYSA-N |
Mol Weight | 307.39 g/mol |
Molecular Formula | C17H25NO4 |
Exact Mass | 307.178358 g/mol |
SpectraBase Spectrum ID | HghA6D1ZWBA |
---|---|
Name | .beta.-Alanine, N-(3-methoxybenzoyl)-, hexyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 307.178358285 u |
Formula | C17H25NO4 |
InChI | InChI=1S/C17H25NO4/c1-3-4-5-6-12-22-16(19)10-11-18-17(20)14-8-7-9-15(13-14)21-2/h7-9,13H,3-6,10-12H2,1-2H3,(H,18,20) |
InChIKey | ICBQEPSZEMDQMZ-UHFFFAOYSA-N |
Molecular Weight | 307.390 g/mol |
SMILES | C1=C(C=CC=C1C(NCCC(OCCCCCC)=O)=O)OC |