| SpectraBase Spectrum ID |
AKY9AQTBfj6 |
| Name |
10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetradecadeuterio-9,10-bis(methylsulfanyl)hexadecanenitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.308966922 u |
| Formula |
C18H21D14NS2 |
| InChI |
InChI=1S/C18H35NS2/c1-4-5-6-11-14-17(20-2)18(21-3)15-12-9-7-8-10-13-16-19/h17-18H,4-15H2,1-3H3/i1D3,4D2,5D2,6D2,11D2,14D2,17D |
| InChIKey |
CFAWLOIXOUCLOM-WFGNNCKHSA-N |
| Instrument Name |
HP 5973-6890 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201611940 |
| Molecular Weight |
343.690 g/mol |
| Quality |
532 |
| SMILES |
C(C(C(C(C(C(C(C(CCCCCCCC#N)SC)(SC)[D])([D])[D])([D])[D])([D])[D])([D])[D])([D])[D])([D])([D])[D] |
| SPLASH |
splash10-053r-6900000000-accbbc82901dffa8be7f |
| Source of Spectrum |
ACI-56-SM17-Figure S21-C (DOI: 10.1002/anie.201611940) |
| Wiley ID |
1895674 |
