| SpectraBase Spectrum ID |
B0JIrHixLuK |
| Name |
1-(13)c-neopentyl p-toluenesulphonate |
| CAS Registry Number |
3162-59-2 |
| Comments |
Original formula: C11[13C]H18O3S |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O3S |
| InChI |
InChI=1S/C12H18O3S/c1-10-5-7-11(8-6-10)15-16(13)14-9-12(2,3)4/h5-8H,9H2,1-4H3/i9+1 |
| InChIKey |
YFZOJZQOMVSFCY-QBZHADDCSA-N |
| Molecular Weight |
243.325 g/mol |
| SMILES |
[13CH2](OS(Oc1ccc(cc1)C)=O)C(C)(C)C |
| SPLASH |
splash10-0a4i-9300000000-c1b976e745f2746b91af |
| Source of Spectrum |
AD-0-4790-0 |
| Wiley ID |
33416 |
