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1,2:4,5-dibenzocycloheptane, 3-trideuteromethyl-
SpectraBase Compound ID DeMcOWboEO8
InChI InChI=1S/C16H16/c1-12-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(12)14/h2-9,12H,10-11H2,1H3/i1D3
InChIKey BWJWATGFRSFNDZ-FIBGUPNXSA-N
Mol Weight 211.32 g/mol
Molecular Formula C16H132D3
Exact Mass 211.144031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3J3ciFhd4YN
Name 1,2:4,5-dibenzocycloheptane, 3-trideuteromethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13D3
InChI InChI=1S/C16H16/c1-12-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(12)14/h2-9,12H,10-11H2,1H3/i1D3
InChIKey BWJWATGFRSFNDZ-FIBGUPNXSA-N
Molecular Weight 211.322 g/mol
SMILES C([2D])(C1c2c(CCc3ccccc13)cccc2)([2D])[2D]
SPLASH splash10-0006-2910000000-7baf591b64ab537d12cf
Source of Spectrum HE-1982-0-0
Synonyms 1,2:4,5-dibenzocycloheptan, 3-trideuteromethyl- 5-Methyl-10,11-dihydro-5H-dibenzo[a,d]cycloheptene
Wiley ID 1207824