| SpectraBase Compound ID | OeItMc0IEK |
|---|---|
| InChI | InChI=1S/C12H16ClNO3/c1-3-4-7-17-12(15)14-10-8-9(13)5-6-11(10)16-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15) |
| InChIKey | NMTSXBAQNHYCQR-UHFFFAOYSA-N |
| Mol Weight | 257.72 g/mol |
| Molecular Formula | C12H16ClNO3 |
| Exact Mass | 257.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qpJHyTDuyz |
|---|---|
| Name | Carbonic acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.081871076 u |
| Formula | C12H16ClNO3 |
| InChI | InChI=1S/C12H16ClNO3/c1-3-4-7-17-12(15)14-10-8-9(13)5-6-11(10)16-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15) |
| InChIKey | NMTSXBAQNHYCQR-UHFFFAOYSA-N |
| SMILES | C(OC(=O)NC=1C(OC)=CC=C(C1)Cl)CCC |