| SpectraBase Compound ID | H45VYoapxqO |
|---|---|
| InChI | InChI=1S/C17H17NO3/c1-18-14-10-6-5-9-13(14)15(19)17(21,16(18)20)11-12-7-3-2-4-8-12/h2-10,15,19,21H,11H2,1H3/t15-,17-/m1/s1 |
| InChIKey | XVSXBCYDTXUQGG-NVXWUHKLSA-N |
| Mol Weight | 283.33 g/mol |
| Molecular Formula | C17H17NO3 |
| Exact Mass | 283.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1HCFgSKwlFY |
|---|---|
| Name | cis-3-Benzyl-3,4-dihydro-3,4-dihydroxy-1-methylquinolin-2(1H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.120843408 u |
| Formula | C17H17NO3 |
| InChI | InChI=1S/C17H17NO3/c1-18-14-10-6-5-9-13(14)15(19)17(21,16(18)20)11-12-7-3-2-4-8-12/h2-10,15,19,21H,11H2,1H3/t15-,17-/m1/s1 |
| InChIKey | XVSXBCYDTXUQGG-NVXWUHKLSA-N |
| SMILES | C=12N(C([C@@]([C@@](C1C=CC=C2)(O)[H])(O)CC1=CC=CC=C1)=O)C |