| SpectraBase Spectrum ID |
5vmjPrYgaRB |
| Name |
Oxalic acid, monoamide, N-(2-methoxyphenyl)-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.115758027 u |
| Formula |
C13H17NO4 |
| InChI |
InChI=1S/C13H17NO4/c1-9(2)8-18-13(16)12(15)14-10-6-4-5-7-11(10)17-3/h4-7,9H,8H2,1-3H3,(H,14,15) |
| InChIKey |
ZMNRIDYRHBIIQA-UHFFFAOYSA-N |
| Molecular Weight |
251.282 g/mol |
| SMILES |
C(COC(C(=O)NC1=C(OC)C=CC=C1)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873588 |
