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1-Adamantyl-3,4,5-tribromo-1H-pyrazole
SpectraBase Compound ID EYzkLrXGMay
InChI InChI=1S/C13H15Br3N2/c14-10-11(15)17-18(12(10)16)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2/t7-,8+,9-,13-
InChIKey KWKVMVVDPHYGSH-LZFPZTGBSA-N
Mol Weight 438.99 g/mol
Molecular Formula C13H15Br3N2
Exact Mass 435.878537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdotSaSryt0
Name 1-Adamantyl-3,4,5-tribromo-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15Br3N2
InChI InChI=1S/C13H15Br3N2/c14-10-11(15)17-18(12(10)16)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2/t7-,8+,9-,13-
InChIKey KWKVMVVDPHYGSH-LZFPZTGBSA-N
Molecular Weight 438.989 g/mol
SMILES c1([n](nc(c1Br)Br)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])Br
SPLASH splash10-000i-3900200000-dd496c62856a101a45bf
Source of Spectrum HC-50-754-3c
Synonyms 1-((3s,5s,7s)-adamantan-1-yl)-3,4,5-tribromo-1H-pyrazole
Wiley ID 1739748