| SpectraBase Spectrum ID |
pcZd7u4CjS |
| Name |
2-benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid |
| Alternate Name(s) |
2-benzamido-3-(1,3-benzodioxol-5-yl)propionic acid
3-(1,3-benzodioxol-5-yl)-N-benzoylalanine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H15NO5 |
| InChI |
InChI=1S/C17H15NO5/c19-16(12-4-2-1-3-5-12)18-13(17(20)21)8-11-6-7-14-15(9-11)23-10-22-14/h1-7,9,13H,8,10H2,(H,18,19)(H,20,21) |
| InChIKey |
BRJYOLARVAXBNQ-UHFFFAOYSA-N |
| Molecular Weight |
313.309 g/mol |
| SMILES |
N(C(C(=O)O)Cc1cc2c(cc1)OCO2)C(c1ccccc1)=O |
| SPLASH |
splash10-0006-0900000000-f8010396069a2f799697 |
| Source of Spectrum |
SO-0-796-7 |
| Wiley ID |
1543560 |
