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2,2,11,11-Tetradeuterio[3.3]orthocyclophane
SpectraBase Compound ID JKyTQji5U43
InChI InChI=1S/C18H20/c1-2-8-16-12-6-14-18-10-4-3-9-17(18)13-5-11-15(16)7-1/h1-4,7-10H,5-6,11-14H2/i5D2,6D2
InChIKey PWVAFAKRBIFUSG-NZLXMSDQSA-N
Mol Weight 240.38 g/mol
Molecular Formula C18H16D4
Exact Mass 240.181608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RhkYCMdem6
Name 2,2,11,11-Tetradeuterio[3.3]orthocyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16D4
InChI InChI=1S/C18H20/c1-2-8-16-12-6-14-18-10-4-3-9-17(18)13-5-11-15(16)7-1/h1-4,7-10H,5-6,11-14H2/i5D2,6D2
InChIKey PWVAFAKRBIFUSG-NZLXMSDQSA-N
Molecular Weight 240.382 g/mol
SMILES C1(Cc2c(CC(Cc3c(C1)cccc3)([D])[D])cccc2)([D])[D]
SPLASH splash10-0006-0090000000-eff7c42189dc7da2f6fe
Source of Spectrum AJ-66-1241-2
Wiley ID 772049