| SpectraBase Compound ID | ErzY2cbNTDT |
|---|---|
| InChI | InChI=1S/C11H9ClO2/c1-7-2-3-10-9(4-7)8(6-12)5-11(13)14-10/h2-5H,6H2,1H3 |
| InChIKey | SPXMXBBTSABPSK-UHFFFAOYSA-N |
| Mol Weight | 208.64 g/mol |
| Molecular Formula | C11H9ClO2 |
| Exact Mass | 208.029107 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Iyd4805kNBg |
|---|---|
| Name | 4-(Chloromethyl)-6-methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.029107228 u |
| Formula | C11H9ClO2 |
| InChI | InChI=1S/C11H9ClO2/c1-7-2-3-10-9(4-7)8(6-12)5-11(13)14-10/h2-5H,6H2,1H3 |
| InChIKey | SPXMXBBTSABPSK-UHFFFAOYSA-N |
| Molecular Weight | 208.644 g/mol |
| SMILES | C=12C=C(C=CC1OC(C=C2CCl)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.950175 |