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Tricyclo[4.3.1.13,8]undecane, 3-methyl-

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Tricyclo[4.3.1.13,8]undecane, 3-methyl-
SpectraBase Compound ID 2W8sW3DqZOW
InChI InChI=1S/C12H20/c1-12-3-2-9-4-10(7-12)6-11(5-9)8-12/h9-11H,2-8H2,1H3/t9-,10+,11-,12+
InChIKey BHHKXYFHWSXFPO-BKUVIOGVSA-N
Mol Weight 164.29 g/mol
Molecular Formula C12H20
Exact Mass 164.156501 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DQTsNDjinDe
Name Tricyclo[4.3.1.13,8]undecane, 3-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.156500644 u
Formula C12H20
InChI InChI=1S/C12H20/c1-12-3-2-9-4-10(7-12)6-11(5-9)8-12/h9-11H,2-8H2,1H3/t9-,10+,11-,12+
InChIKey BHHKXYFHWSXFPO-BKUVIOGVSA-N
Molecular Weight 164.292 g/mol
SMILES [C@]12(C[C@]3(C[C@](CC2)(C[C@@](C1)(C3)[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803181