![Acetamide, 2-[2-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]-](/api/spectrum/smB8hDCvMg/structure.png?h=300&w=458 "Acetamide, 2-[2-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]-")
| SpectraBase Compound ID | 6bShSUEJV5x |
|---|---|
| InChI | InChI=1S/C14H13N3O5/c1-9-14(17(19)20)12(22-16-9)7-6-10-4-2-3-5-11(10)21-8-13(15)18/h2-7H,8H2,1H3,(H2,15,18)/b7-6+ |
| InChIKey | GPSQPXDNILADER-VOTSOKGWSA-N |
| Mol Weight | 303.27 g/mol |
| Molecular Formula | C14H13N3O5 |
| Exact Mass | 303.085521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | smB8hDCvMg |
|---|---|
| Name | Acetamide, 2-[2-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]phenoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.085520526 u |
| Formula | C14H13N3O5 |
| InChI | InChI=1S/C14H13N3O5/c1-9-14(17(19)20)12(22-16-9)7-6-10-4-2-3-5-11(10)21-8-13(15)18/h2-7H,8H2,1H3,(H2,15,18)/b7-6+ |
| InChIKey | GPSQPXDNILADER-VOTSOKGWSA-N |
| SMILES | C1(N(=O)=O)=C(ON=C1C)\C=C\C=1C(OCC(=O)N)=CC=CC1 |