| SpectraBase Compound ID | 87GPYjbqtmW |
|---|---|
| InChI | InChI=1S/C14H14N2O2/c1-9-5-6-10-11(8-9)14(18)16(13(10)17)12-4-2-3-7-15-12/h2-5,7,10-11H,6,8H2,1H3 |
| InChIKey | NBRSHGDINMKMSL-UHFFFAOYSA-N |
| Mol Weight | 242.28 g/mol |
| Molecular Formula | C14H14N2O2 |
| Exact Mass | 242.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4She5XfBfy |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, 3A,4,7,7A-tetrahydro-5-methyl-2-(2-pyridinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.105527697 u |
| Formula | C14H14N2O2 |
| InChI | InChI=1S/C14H14N2O2/c1-9-5-6-10-11(8-9)14(18)16(13(10)17)12-4-2-3-7-15-12/h2-5,7,10-11H,6,8H2,1H3 |
| InChIKey | NBRSHGDINMKMSL-UHFFFAOYSA-N |
| Molecular Weight | 242.278 g/mol |
| SMILES | C=1C=CC(N2C(C3CC(C)=CCC3C2=O)=O)=NC1 |