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Trans-8-tert-butyl-bicyclo(4,3,0)non-3,7-diene

View entire compound with spectra: 1 FTIR

Trans-8-tert-butyl-bicyclo(4,3,0)non-3,7-diene
SpectraBase Compound ID jDc552Ajvp
InChI InChI=1S/C13H20/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t10-,11-/m0/s1
InChIKey PSLJCQNGQAJKFA-QWRGUYRKSA-N
Mol Weight 176.3 g/mol
Molecular Formula C13H20
Exact Mass 176.156501 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 804CMU2X86X
Name Trans-8-tert-butyl-bicyclo(4,3,0)non-3,7-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.156500644 u
Formula C13H20
InChI InChI=1S/C13H20/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t10-,11-/m0/s1
InChIKey PSLJCQNGQAJKFA-QWRGUYRKSA-N
Molecular Weight 176.303 g/mol
SMILES C1=CC[C@@]2([C@@](C1)(C=C(C2)C(C)(C)C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959169