SpectraBase Spectrum ID |
6RqBKXWvOrP |
Name |
[5,5,6,5-tetradeuterate]-7-Oxododecan-3-yl acetate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C14H22D4O3 |
InChI |
InChI=1S/C14H26O3/c1-4-6-7-9-13(16)10-8-11-14(5-2)17-12(3)15/h14H,4-11H2,1-3H3/i8D2,10D2 |
InChIKey |
ZRAPZBYKYCNCGW-AKGZQNITSA-N |
Literature Reference DOI |
10.1002/cbic.201000481 |
Molecular Weight |
246.383 g/mol |
SMILES |
C([D])(C([D])([D])CC(CC)OC(C)=O)(C(CCCCC)=O)[D] |
SPLASH |
splash10-0006-9000000000-39a1db7eefc415ca0976 |
Source of Spectrum |
CBC-12-171-[D4]_56 |
Synonyms |
7-Oxododecan-3-yl-5,5,6,6-d4 acetate |
Wiley ID |
1786717 |