| SpectraBase Compound ID | EI7ecn0aIVn |
|---|---|
| InChI | InChI=1S/C16H17NO3/c1-16(2)8-11(18)14-12(9-16)20-15(17-19)13(14)10-6-4-3-5-7-10/h3-7,13,19H,8-9H2,1-2H3/b17-15+ |
| InChIKey | MLZVPWVLHPYBCJ-BMRADRMJSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C16H17NO3 |
| Exact Mass | 271.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Jj4H8BoeJz |
|---|---|
| Name | (E)-2-(Hydroxyimino)-6,6-dimethyl-3-phenyl-2,3,6,7-tetrahydrobenzofuran-4(5H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.120843408 u |
| Formula | C16H17NO3 |
| InChI | InChI=1S/C16H17NO3/c1-16(2)8-11(18)14-12(9-16)20-15(17-19)13(14)10-6-4-3-5-7-10/h3-7,13,19H,8-9H2,1-2H3/b17-15+ |
| InChIKey | MLZVPWVLHPYBCJ-BMRADRMJSA-N |
| SMILES | C12=C(O\C(C2C=2C=CC=CC2)=N/O)CC(CC1=O)(C)C |