| SpectraBase Compound ID | JxzKNe967zn |
|---|---|
| InChI | InChI=1S/C16H22ClNO3/c1-3-4-5-6-11-21-15(19)12-18(2)16(20)13-7-9-14(17)10-8-13/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | WGPRKIYPKZLFAA-UHFFFAOYSA-N |
| Mol Weight | 311.81 g/mol |
| Molecular Formula | C16H22ClNO3 |
| Exact Mass | 311.128821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IeiMQeG9mPj |
|---|---|
| Name | Sarcosine, N-(4-chlorobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.128821269 u |
| Formula | C16H22ClNO3 |
| InChI | InChI=1S/C16H22ClNO3/c1-3-4-5-6-11-21-15(19)12-18(2)16(20)13-7-9-14(17)10-8-13/h7-10H,3-6,11-12H2,1-2H3 |
| InChIKey | WGPRKIYPKZLFAA-UHFFFAOYSA-N |
| Molecular Weight | 311.809 g/mol |
| SMILES | C(C1=CC=C(C=C1)Cl)(=O)N(CC(=O)OCCCCCC)C |