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Methanone, (2,2-dimethylcyclopropyl)[4-[4-hydroxy-1,1-dimethyl-4-(phenyl-D5)-butyl-4d]phenyl-2,3,4,5,6-D4]-
SpectraBase Compound ID 7nXOEVcNQdb
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
Mol Weight 360.56 g/mol
Molecular Formula C24H202D10O2
Exact Mass 360.287348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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