| SpectraBase Compound ID | APwQW5knVsL |
|---|---|
| InChI | InChI=1S/C12H14ClNO3/c1-3-17-11(15)8-14(2)12(16)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3 |
| InChIKey | CSDYVZTVOGIXFK-UHFFFAOYSA-N |
| Mol Weight | 255.7 g/mol |
| Molecular Formula | C12H14ClNO3 |
| Exact Mass | 255.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6c1JC4mLgae |
|---|---|
| Name | Sarcosine, N-(4-chlorobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.066221012 u |
| Formula | C12H14ClNO3 |
| InChI | InChI=1S/C12H14ClNO3/c1-3-17-11(15)8-14(2)12(16)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3 |
| InChIKey | CSDYVZTVOGIXFK-UHFFFAOYSA-N |
| Molecular Weight | 255.701 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)N(CC(OCC)=O)C)Cl |