| SpectraBase Spectrum ID |
9LpIBAIj80G |
| Name |
Mercaptoacetic acid, methyl ester, [o-(2,4-dichlorophenoxy)benzoyl]carbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.989149092 u |
| Formula |
C17H13Cl2NO5S |
| InChI |
InChI=1S/C17H13Cl2NO5S/c1-24-15(21)9-26-17(23)20-16(22)11-4-2-3-5-13(11)25-14-7-6-10(18)8-12(14)19/h2-8H,9H2,1H3,(H,20,22,23) |
| InChIKey |
LDIOTNHXYIUNQE-UHFFFAOYSA-N |
| Molecular Weight |
414.259 g/mol |
| SMILES |
N(C(C1=CC=CC=C1OC=1C(=CC(=CC1)Cl)Cl)=O)C(SCC(OC)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.920404 |
![Mercaptoacetic acid, methyl ester, [o-(2,4-dichlorophenoxy)benzoyl]carbamate](/api/spectrum/9LpIBAIj80G/structure.png?h=300&w=458 "Mercaptoacetic acid, methyl ester, [o-(2,4-dichlorophenoxy)benzoyl]carbamate")
