| SpectraBase Compound ID | 4uCC1frHAza |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-2-4-10-9(3-1)12-7-5-11-6-8-13-10/h1-4H,5-8H2 |
| InChIKey | HOWRGZDIVIHRJM-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Km2bNQmjSF |
|---|---|
| Name | 1,4,7-Benzotrioxonin, 2,3,5,6-tetrahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-2-4-10-9(3-1)12-7-5-11-6-8-13-10/h1-4H,5-8H2 |
| InChIKey | HOWRGZDIVIHRJM-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C12=C(C=CC=C2)OCCOCCO1 |