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Tri-1-adamantylmethyl bromide
SpectraBase Compound ID F7WmKxJl29R
InChI InChI=1S/C31H45Br/c32-31(28-10-19-1-20(11-28)3-21(2-19)12-28,29-13-22-4-23(14-29)6-24(5-22)15-29)30-16-25-7-26(17-30)9-27(8-25)18-30/h19-27H,1-18H2/t19-,20+,21-,22-,23+,24-,25-,26+,27-,28-,29-,30-
InChIKey KZTSZEDMNKQOTQ-CCUSEENBSA-N
Mol Weight 497.6 g/mol
Molecular Formula C31H45Br
Exact Mass 496.270464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEHC1np2ehx
Name Tri-1-adamantylmethyl bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H45Br
InChI InChI=1S/C31H45Br/c32-31(28-10-19-1-20(11-28)3-21(2-19)12-28,29-13-22-4-23(14-29)6-24(5-22)15-29)30-16-25-7-26(17-30)9-27(8-25)18-30/h19-27H,1-18H2/t19-,20+,21-,22-,23+,24-,25-,26+,27-,28-,29-,30-
InChIKey KZTSZEDMNKQOTQ-CCUSEENBSA-N
Molecular Weight 497.605 g/mol
SMILES C(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])Br
SPLASH splash10-000i-0900000000-025136eb3c0647e7808c
Source of Spectrum KC-0-2024-0
Synonyms 1-[di(1-adamantyl)(bromo)methyl]adamantane
Wiley ID 820704