| SpectraBase Compound ID | Bur8pnT9tlj |
|---|---|
| InChI | InChI=1S/C16H22N2O5/c1-3-4-5-6-11-23-15(19)12-17(2)16(20)13-7-9-14(10-8-13)18(21)22/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | PYUHYYKSGMOBEY-UHFFFAOYSA-N |
| Mol Weight | 322.36 g/mol |
| Molecular Formula | C16H22N2O5 |
| Exact Mass | 322.152872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BcOJeuGKWZ |
|---|---|
| Name | Sarcosine, N-(4-nitrobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.152871811 u |
| Formula | C16H22N2O5 |
| InChI | InChI=1S/C16H22N2O5/c1-3-4-5-6-11-23-15(19)12-17(2)16(20)13-7-9-14(10-8-13)18(21)22/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | PYUHYYKSGMOBEY-UHFFFAOYSA-N |
| Molecular Weight | 322.361 g/mol |
| SMILES | C1=CC(=CC=C1C(N(CC(OCCCCCC)=O)C)=O)N(=O)=O |