| SpectraBase Compound ID | OIKP4eTqDh |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-2-3-8-14-12-10-7-5-4-6-9(10)11(13)15-12/h4-7,12H,2-3,8H2,1H3 |
| InChIKey | AGLNMGPYKANDTM-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGVE6qM1w27 |
|---|---|
| Name | 3-Butoxyphthalide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-2-3-8-14-12-10-7-5-4-6-9(10)11(13)15-12/h4-7,12H,2-3,8H2,1H3 |
| InChIKey | AGLNMGPYKANDTM-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C1(OC(C=2C=CC=CC12)OCCCC)=O |