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Phenanthrene, 1-(bromomethyl-D2)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
SpectraBase Compound ID ETZGuF6ofwN
InChI InChI=1S/C20H29Br/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3/t18-,19+,20+/m1/s1/i13D2
InChIKey MOJTYJAYJRWNBL-SKFISLDKSA-N
Mol Weight 351.37 g/mol
Molecular Formula C20H272D2Br
Exact Mass 350.157817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AXYbGAOu0
Name Phenanthrene, 1-(bromomethyl-D2)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
CAS Registry Number 79936-72-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27D2Br
InChI InChI=1S/C20H29Br/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3/t18-,19+,20+/m1/s1/i13D2
InChIKey MOJTYJAYJRWNBL-SKFISLDKSA-N
Molecular Weight 351.368 g/mol
SMILES [C@]1(CCC[C@]2(c3ccc(cc3CC[C@]12[H])C(C)C)C)(C)C(Br)([2D])[2D]
SPLASH splash10-052r-0239000000-6d1f8df6accf1458db01
Source of Spectrum H-64-1275-0
Synonyms (4R,5R,10S)-18-Bromo-[18,18-2H2]-dehydroabietane
Wiley ID 1340734