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5,5,8a-Trimethyl-3,5,6,7,8,8a-hexahydro-2H-chromene

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

5,5,8a-Trimethyl-3,5,6,7,8,8a-hexahydro-2H-chromene
SpectraBase Compound ID 4995P2l7muh
InChI InChI=1S/C12H20O/c1-11(2)7-5-8-12(3)10(11)6-4-9-13-12/h6H,4-5,7-9H2,1-3H3
InChIKey IKVLZMXNHQYWMF-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 FGOGwNuT1CK
Name 5,5,8A-Trimethyl-3,5,6,7,8,8A-hexahydro-2H-chromene
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/c1-11(2)7-5-8-12(3)10(11)6-4-9-13-12/h6H,4-5,7-9H2,1-3H3
InChIKey IKVLZMXNHQYWMF-UHFFFAOYSA-N
Molecular Weight 180.291 g/mol
SMILES CC1(C)C2=CCCOC2(C)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963227