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3-Oxabicyclo[3.3.1]non-6-ene, 6-methyl-4-isopropyl-

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

3-Oxabicyclo[3.3.1]non-6-ene, 6-methyl-4-isopropyl-
SpectraBase Compound ID ITjJqbWioyK
InChI InChI=1S/C12H20O/c1-8(2)12-11-6-10(7-13-12)5-4-9(11)3/h4,8,10-12H,5-7H2,1-3H3
InChIKey ZHCWTUUWRMGFHD-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 38Uma6miwmh
Name 3-Oxabicyclo[3.3.1]non-6-ene, 6-methyl-4-isopropyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.151415263 u
Formula C12H20O
InChI InChI=1S/C12H20O/c1-8(2)12-11-6-10(7-13-12)5-4-9(11)3/h4,8,10-12H,5-7H2,1-3H3
InChIKey ZHCWTUUWRMGFHD-UHFFFAOYSA-N
Molecular Weight 180.291 g/mol
SMILES C12C(OCC(C2)CC=C1C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974178