| SpectraBase Spectrum ID |
AlcV5Qxoalg |
| Name |
Methyl (2-acetamido-3-(benzo[D][1,3]dioxol-5-yl)propanoyl)alaninate (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.132136366 u |
| Formula |
C16H20N2O6 |
| InChI |
InChI=1S/C16H20N2O6/c1-9(16(21)22-3)17-15(20)12(18-10(2)19)6-11-4-5-13-14(7-11)24-8-23-13/h4-5,7,9,12H,6,8H2,1-3H3,(H,17,20)(H,18,19) |
| InChIKey |
JNXYAMFIIZRBNJ-UHFFFAOYSA-N |
| Molecular Weight |
336.344 g/mol |
| SMILES |
C(C(NC(C(CC1=CC=C2OCOC2=C1)NC(C)=O)=O)C)(=O)OC |
![Methyl (2-acetamido-3-(benzo[D][1,3]dioxol-5-yl)propanoyl)alaninate (isomer 1)](/api/spectrum/AlcV5Qxoalg/structure.png?h=300&w=458 "Methyl (2-acetamido-3-(benzo[D][1,3]dioxol-5-yl)propanoyl)alaninate (isomer 1)")
