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1-(2-Methyl-penta-2,3-dienyl)-adamantane

View entire compound with spectra: 1 FTIR

1-(2-Methyl-penta-2,3-dienyl)-adamantane
SpectraBase Compound ID 4mb1vPCcgZq
InChI InChI=1S/C16H24/c1-3-4-12(2)8-16-9-13-5-14(10-16)7-15(6-13)11-16/h3,13-15H,5-11H2,1-2H3/t4?,13-,14+,15-,16+
InChIKey NKBZVAXPJJGLCK-VSFDJNDKSA-N
Mol Weight 216.37 g/mol
Molecular Formula C16H24
Exact Mass 216.187801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BZ4gJj3Lsw9
Name 1-(2-Methyl-penta-2,3-dienyl)-adamantane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.187800773 u
Formula C16H24
InChI InChI=1S/C16H24/c1-3-4-12(2)8-16-9-13-5-14(10-16)7-15(6-13)11-16/h3,13-15H,5-11H2,1-2H3/t4?,13-,14+,15-,16+
InChIKey NKBZVAXPJJGLCK-VSFDJNDKSA-N
Molecular Weight 216.368 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2)(CC(C1)(CC(=C=CC)C)C3)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947234