![4-Nitro-2-[(E)-prop-1-enyl]phenol](/api/spectrum/AOQnACmtea5/structure.png?h=300&w=458 "4-Nitro-2-[(E)-prop-1-enyl]phenol")
| SpectraBase Compound ID | 59m1aFtpDPz |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-2-3-7-6-8(10(12)13)4-5-9(7)11/h2-6,11H,1H3/b3-2+ |
| InChIKey | FHMFFBJNEANCDK-NSCUHMNNSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AOQnACmtea5 |
|---|---|
| Name | 4-Nitro-2-[(E)-prop-1-enyl]phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.058243151 u |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-2-3-7-6-8(10(12)13)4-5-9(7)11/h2-6,11H,1H3/b3-2+ |
| InChIKey | FHMFFBJNEANCDK-NSCUHMNNSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C=1(N(=O)=O)C=C(\C=C\C)C(=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935427 |