| SpectraBase Spectrum ID |
Dx5WM5blqCc |
| Name |
4-Aminobenzoylglutamic acid penta-methyl derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.168521876 u |
| Formula |
C17H24N2O5 |
| InChI |
InChI=1S/C17H24N2O5/c1-18(2)13-8-6-12(7-9-13)16(21)19(3)14(17(22)24-5)10-11-15(20)23-4/h6-9,14H,10-11H2,1-5H3 |
| InChIKey |
VFXZRTWNWHIFKB-UHFFFAOYSA-N |
| Molecular Weight |
336.388 g/mol |
| SMILES |
COC(CCC(C(OC)=O)N(C(=O)C1=CC=C(C=C1)N(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81576 |
