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5-Bromoadamantan-2-spiro[2'-oxirane] isomer

View entire compound with spectra: 1 FTIR

5-Bromoadamantan-2-spiro[2'-oxirane] isomer
SpectraBase Compound ID JBOEmWW771O
InChI InChI=1S/C11H15BrO/c12-10-3-7-1-8(4-10)11(6-13-11)9(2-7)5-10/h7-9H,1-6H2/t7-,8-,9+,10-,11+
InChIKey FQUQTUXHBYMOHP-HBKXCPMBSA-N
Mol Weight 243.14 g/mol
Molecular Formula C11H15BrO
Exact Mass 242.030628 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8kHSCdFF6uZ
Name 5-Bromoadamantan-2-spiro[2'-oxirane] isomer
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.030628102 u
Formula C11H15BrO
InChI InChI=1S/C11H15BrO/c12-10-3-7-1-8(4-10)11(6-13-11)9(2-7)5-10/h7-9H,1-6H2/t7-,8-,9+,10-,11+
InChIKey FQUQTUXHBYMOHP-HBKXCPMBSA-N
Molecular Weight 243.144 g/mol
SMILES [C@]12(OC2)[C@@]2(C[C@@]3(C[C@]1(C[C@@](C3)(C2)[H])[H])Br)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861528