| SpectraBase Compound ID | 7UruiT56adT |
|---|---|
| InChI | InChI=1S/C14H12OS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10H,11H2/i11D2 |
| InChIKey | MRLUWCIEBHJONW-ZWGOZCLVSA-N |
| Mol Weight | 230.32 g/mol |
| Molecular Formula | C14H102D2OS |
| Exact Mass | 230.07344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7kCX2BfJl8w |
|---|---|
| Name | 2-(Phenylthio)acetophenone-2,2-D2 |
| CAS Registry Number | 55059-30-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H10D2OS |
| InChI | InChI=1S/C14H12OS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10H,11H2/i11D2 |
| InChIKey | MRLUWCIEBHJONW-ZWGOZCLVSA-N |
| Molecular Weight | 230.321 g/mol |
| SMILES | C(C(Sc1ccccc1)([2D])[2D])(=O)c1ccccc1 |
| SPLASH | splash10-0a4i-5930000000-5e8ee37b02f036d8327d |
| Source of Spectrum | TR-0-179-0 |
| Wiley ID | 30505 |