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2-(1-Adamantyl)ethyl 4-bromobutanoate

View entire compound with spectra: 1 MS (GC)

2-(1-Adamantyl)ethyl 4-bromobutanoate
SpectraBase Compound ID HOmGAcrcB6d
InChI InChI=1S/C16H25BrO2/c17-4-1-2-15(18)19-5-3-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2/t12-,13+,14-,16+
InChIKey HJKXAFILFBQFQI-UWOLEIRVSA-N
Mol Weight 329.28 g/mol
Molecular Formula C16H25BrO2
Exact Mass 328.103793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbeobcXbCpO
Name 2-(1-Adamantyl)ethyl 4-bromobutanoate
Alternate Name(s) 4-Bromobutanoic acid, 2-(1-adamantyl)ethyl ester 4-Bromobutanoic acid 2-(1-adamantyl)ethyl ester 2-(1-adamantyl)ethyl 4-bromanylbutanoate
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Formula C16H25BrO2
InChI InChI=1S/C16H25BrO2/c17-4-1-2-15(18)19-5-3-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2/t12-,13+,14-,16+
InChIKey HJKXAFILFBQFQI-UWOLEIRVSA-N
Molecular Weight 329.278 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)CCCBr)[H]
SPLASH splash10-01p9-2900000000-bd45abbe97d14557c907
Source of Spectrum NP-11-6234-0
Wiley ID 1109740