| SpectraBase Compound ID | BlbR0c4SnUe |
|---|---|
| InChI | InChI=1S/C12H14BrNO3/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 | WXTBEGQNNCXRSQ-UHFFFAOYSA-N |
| Mol Weight | 300.15 g/mol |
| Molecular Formula | C12H14BrNO3 |
| Exact Mass | 299.015706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HZDantwHL6 |
|---|---|
| Name | Sarcosine, N-(4-bromobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.015706312 u |
| Formula | C12H14BrNO3 |
| InChI | InChI=1S/C12H14BrNO3/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 | WXTBEGQNNCXRSQ-UHFFFAOYSA-N |
| Molecular Weight | 300.152 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)C(=O)N(CC(OCC)=O)C |