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5-Hydroxy-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one

View entire compound with spectra: 1 FTIR, and 5 MS (GC)

5-Hydroxy-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
SpectraBase Compound ID HDEQVBRrSTu
InChI InChI=1S/C9H14O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6-7,11H,4H2,1-3H3
InChIKey LWCZGPHMQJSWCT-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JYD6lKbHpYK
Name 5-Hydroxy-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 170.094294308 u
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6-7,11H,4H2,1-3H3
InChIKey LWCZGPHMQJSWCT-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES C1(=O)C2C(C)(O2)C(C(C1)(C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845788