SpectraBase Spectrum ID |
AdnsxpIdGbb |
Name |
6-(Chloromethyl)-1,1,1,3,3,5-hexadeuterio-5-tosyl-6-hepten-2-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C15H13D6ClO3S |
InChI |
InChI=1S/C15H19ClO3S/c1-11-4-7-14(8-5-11)20(18,19)15(12(2)10-16)9-6-13(3)17/h4-5,7-8,15H,2,6,9-10H2,1,3H3/i3D3,6D2,15D |
InChIKey |
VKDJRAZXGFGKPN-AARPPZRVSA-N |
Molecular Weight |
320.864 g/mol |
SMILES |
C(C(C(CC(C(=C)CCl)(S(=O)(=O)c1ccc(C)cc1)[2D])([2D])[2D])=O)([2D])([2D])[2D] |
SPLASH |
splash10-0002-9000000000-f3e4eb27ef6c031ec53a |
Source of Spectrum |
F-50-3505-21 |
Wiley ID |
1314815 |