| SpectraBase Compound ID | HTEsKHVsfMV |
|---|---|
| InChI | InChI=1S/C13H16ClNO3/c1-3-8-18-12(16)9-15(2)13(17)10-4-6-11(14)7-5-10/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | IHSZLSTUMANNCN-UHFFFAOYSA-N |
| Mol Weight | 269.73 g/mol |
| Molecular Formula | C13H16ClNO3 |
| Exact Mass | 269.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73zYXH50sE5 |
|---|---|
| Name | Sarcosine, N-(4-chlorobenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.081871076 u |
| Formula | C13H16ClNO3 |
| InChI | InChI=1S/C13H16ClNO3/c1-3-8-18-12(16)9-15(2)13(17)10-4-6-11(14)7-5-10/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | IHSZLSTUMANNCN-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)Cl)(=O)N(CC(OCCC)=O)C |