| SpectraBase Compound ID | GZagFwC0xl4 |
|---|---|
| InChI | InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/i4D,5D |
| InChIKey | MFEILWXBDBCWKF-KFRNQKGQSA-N |
| Mol Weight | 170.64 g/mol |
| Molecular Formula | C9H7D2ClO |
| Exact Mass | 170.046746 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 44bKYIe3SRP |
|---|---|
| Name | 3-Phenylpropionyl chloro-ortho-D2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7D2ClO |
| InChI | InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/i4D,5D |
| InChIKey | MFEILWXBDBCWKF-KFRNQKGQSA-N |
| Molecular Weight | 170.635 g/mol |
| SMILES | C(=O)(Cl)CCc1c(cccc1[D])[D] |
| SPLASH | splash10-0a4l-7900000000-0ad3f082f4eb23ada4a3 |
| Source of Spectrum | V3-31-1-0 |
| Wiley ID | 1164226 |