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2-Methyltetracyclo[6.5.0.1(3,6)]tridec-4-ene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Methyltetracyclo[6.5.0.1(3,6)]tridec-4-ene
SpectraBase Compound ID 8eCagKGJOM6
InChI InChI=1S/C14H20/c1-13-10-6-7-11(9-10)14(13)8-4-2-3-5-12(13)14/h6-7,10-12H,2-5,8-9H2,1H3
InChIKey NZPYWTYFHZMRSZ-UHFFFAOYSA-N
Mol Weight 188.31 g/mol
Molecular Formula C14H20
Exact Mass 188.156501 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ehrmk9D1ScV
Name 2-Methyltetracyclo[6.5.0.1(3,6)]tridec-4-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.156500644 u
Formula C14H20
InChI InChI=1S/C14H20/c1-13-10-6-7-11(9-10)14(13)8-4-2-3-5-12(13)14/h6-7,10-12H,2-5,8-9H2,1H3
InChIKey NZPYWTYFHZMRSZ-UHFFFAOYSA-N
Molecular Weight 188.314 g/mol
SMILES C12(C3(C4CC2C=C4)CCCCCC13)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883551