| SpectraBase Compound ID | 72aGxYybvV1 |
|---|---|
| InChI | InChI=1S/C11H8F5NO4/c12-10(13,11(14,15)16)9(18)21-5-4-7-2-1-3-8(6-7)17(19)20/h1-3,6H,4-5H2 |
| InChIKey | XBXNBXZQIYYWBB-UHFFFAOYSA-N |
| Mol Weight | 313.18 g/mol |
| Molecular Formula | C11H8F5NO4 |
| Exact Mass | 313.037349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4oUhyXKJyYT |
|---|---|
| Name | 3-Nitrophenethyl alcohol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.037348553 u |
| Formula | C11H8F5NO4 |
| InChI | InChI=1S/C11H8F5NO4/c12-10(13,11(14,15)16)9(18)21-5-4-7-2-1-3-8(6-7)17(19)20/h1-3,6H,4-5H2 |
| InChIKey | XBXNBXZQIYYWBB-UHFFFAOYSA-N |
| Molecular Weight | 313.180 g/mol |
| SMILES | C1(=CC(=CC=C1)N(=O)=O)CCOC(C(C(F)(F)F)(F)F)=O |