| SpectraBase Compound ID | GnnW0MNdggM |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-4-17-12(15)9-14(3)13(16)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3 |
| InChIKey | AQDAELJQZJBFQB-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IhalaPUAdv |
|---|---|
| Name | Sarcosine, N-(4-methylbenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-4-17-12(15)9-14(3)13(16)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3 |
| InChIKey | AQDAELJQZJBFQB-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C1=CC(=CC=C1C(N(CC(OCC)=O)C)=O)C |