| SpectraBase Spectrum ID |
C5TG9YXLPdV |
| Name |
1-Propan-1,1-D2-ol, 2,2-dimethyl-, 4-methylbenzenesulfonate |
| Alternate Name(s) |
1-Propan-1,1-D2-ol, 2,2-dimethyl-, p-toluenesulfonate
1-D2-neopentyl p-toluenesulphonate |
| CAS Registry Number |
3581-76-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16D2O3S |
| InChI |
InChI=1S/C12H18O3S/c1-10-5-7-11(8-6-10)16(13,14)15-9-12(2,3)4/h5-8H,9H2,1-4H3/i9D2 |
| InChIKey |
ZIUSUDLSXJPGTD-KNXIQCGSSA-N |
| Molecular Weight |
244.345 g/mol |
| SMILES |
c1(S(OC(C(C)(C)C)([2D])[2D])(=O)=O)ccc(cc1)C |
| SPLASH |
splash10-0a4l-9300000000-f6b888eb45a4029b5c97 |
| Source of Spectrum |
AD-0-4791-0 |
| Wiley ID |
33417 |
