| SpectraBase Compound ID | KRAZR5uwxQZ |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-17(2,20)10-9-12-15(22-5)11-7-6-8-13(21-4)14(11)18(3)16(12)19/h6-10,20H,1-5H3/b10-9+ |
| InChIKey | SXUIUFISUUTEMX-MDZDMXLPSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DGM1JNfcydC |
|---|---|
| Name | Glycocitlone-C |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-17(2,20)10-9-12-15(22-5)11-7-6-8-13(21-4)14(11)18(3)16(12)19/h6-10,20H,1-5H3/b10-9+ |
| InChIKey | SXUIUFISUUTEMX-MDZDMXLPSA-N |
| SMILES | CN1C(=O)C(\C=C\C(O)(C)C)=C(OC)C2=CC=CC(OC)=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890725 |