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1-Methyltricyclo[2.2.1.0(2,6)]heptane

View entire compound with spectra: 1 FTIR

1-Methyltricyclo[2.2.1.0(2,6)]heptane
SpectraBase Compound ID DUHWujShiiB
InChI InChI=1S/C8H12/c1-8-4-5-2-6(8)7(8)3-5/h5-7H,2-4H2,1H3/t5-,6+,7-,8-
InChIKey QSUFBNDGMXCLRN-HZFNTPMKSA-N
Mol Weight 108.18 g/mol
Molecular Formula C8H12
Exact Mass 108.0939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9jqwvNhW6J7
Name 1-Methyltricyclo[2.2.1.0(2,6)]heptane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 108.093900386 u
Formula C8H12
InChI InChI=1S/C8H12/c1-8-4-5-2-6(8)7(8)3-5/h5-7H,2-4H2,1H3/t5-,6+,7-,8-
InChIKey QSUFBNDGMXCLRN-HZFNTPMKSA-N
Molecular Weight 108.184 g/mol
SMILES [C@@]12(C[C@]3(C[C@@]2(C)[C@@]1(C3)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844893