| SpectraBase Spectrum ID |
6I0mEbtBapV |
| Name |
Oxalic acid, monoamide, N-(3-clorophenyl)-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.066221012 u |
| Formula |
C12H14ClNO3 |
| InChI |
InChI=1S/C12H14ClNO3/c1-8(2)7-17-12(16)11(15)14-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,15) |
| InChIKey |
KSPFEOKVTYIANK-UHFFFAOYSA-N |
| Molecular Weight |
255.701 g/mol |
| SMILES |
CC(COC(C(=O)NC1=CC=CC(=C1)Cl)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852558 |
