SpectraBase Spectrum ID |
2QqOrshvAMM |
Name |
Methanone, (2,2-dimethylcyclopropyl)[4-[4-hydroxy-1,1-dimethyl-4-(phenyl-D5)-butyl-4d]phenyl-2,3,4,5,6-D4]- |
CAS Registry Number |
138354-24-2 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C24H20D10O2 |
InChI |
InChI=1S/C24H30O2/c1-23(2,15-14-21(25)17-8-6-5-7-9-17)19-12-10-18(11-13-19)22(26)20-16-24(20,3)4/h5-13,20-21,25H,14-16H2,1-4H3/i5D,6D,7D,8D,9D,10D,11D,12D,13D,21D |
InChIKey |
JBOGADGQEOAODL-VSABWWMASA-N |
Molecular Weight |
360.563 g/mol |
SMILES |
OC(CCC(c1c(c(c(C(C2C(C)(C)C2)=O)c(c1[2D])[2D])[2D])[2D])(C)C)(c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])[2D] |
SPLASH |
splash10-02tc-0094000000-1cf53703e801745d5007 |
Source of Spectrum |
C-114-1852-29 |
Wiley ID |
1342342 |