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2H-Oxecin-2-one, 5,6,7,8,9,10-hexahydro-3,5-dimethyl-, (E)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2H-Oxecin-2-one, 5,6,7,8,9,10-hexahydro-3,5-dimethyl-, (E)-
SpectraBase Compound ID L70tuB2ItXp
InChI InChI=1S/C11H18O2/c1-9-6-4-3-5-7-13-11(12)10(2)8-9/h8-9H,3-7H2,1-2H3/b10-8-
InChIKey VMAUMBQVBSFKQM-NTMALXAHSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JvbbxhCJB8U
Name 2H-Oxecin-2-one, 5,6,7,8,9,10-hexahydro-3,5-dimethyl-, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-9-6-4-3-5-7-13-11(12)10(2)8-9/h8-9H,3-7H2,1-2H3/b10-8-
InChIKey VMAUMBQVBSFKQM-NTMALXAHSA-N
Molecular Weight 182.263 g/mol
SMILES C1(\C(=C/C(CCCCCO1)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945027