| SpectraBase Compound ID | 9SRiRW2BPFi |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-14-11-4-2-9(3-5-11)8-10-6-7-15-12(10)13/h2-5,8H,6-7H2,1H3 |
| InChIKey | MBSKMEQHKIKWQZ-UHFFFAOYSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J3feUdM83FT |
|---|---|
| Name | Dihydro-3-(p-methoxybenzylidene)-2(3H)-furanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.078644243 u |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c1-14-11-4-2-9(3-5-11)8-10-6-7-15-12(10)13/h2-5,8H,6-7H2,1H3 |
| InChIKey | MBSKMEQHKIKWQZ-UHFFFAOYSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C=1C(=CC=C(C1)OC)C=C1CCOC1=O |
| Spectrum/Structure Validation Score (Raman) | 0.991321 |