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1-(Bromomethylphenyl)adamantane
SpectraBase Compound ID CepMMPUUxD1
InChI InChI=1S/C17H21Br/c18-11-15-3-1-2-4-16(15)17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14H,5-11H2/t12-,13+,14-,17-
InChIKey DDRGJDXWDCZKKN-ZZNDEYBLSA-N
Mol Weight 305.26 g/mol
Molecular Formula C17H21Br
Exact Mass 304.082664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApSAszd7I0C
Name 1-(Bromomethylphenyl)adamantane
Appearance Yellowish powder
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Formula C17H21Br
InChI InChI=1S/C17H21Br/c18-11-15-3-1-2-4-16(15)17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14H,5-11H2/t12-,13+,14-,17-
InChIKey DDRGJDXWDCZKKN-ZZNDEYBLSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02917
Molecular Weight 305.259 g/mol
SMILES c1(c(cccc1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])CBr
SPLASH splash10-004i-3390000000-757d88e0cdaee8df1397
Source of Spectrum JOC-86-4492-3b
Wiley ID 1867940