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4-Oxabicyclo[6.3.0]decan-2,5-dione

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

4-Oxabicyclo[6.3.0]decan-2,5-dione
SpectraBase Compound ID JrUmBDCN36u
InChI InChI=1S/C9H12O3/c10-8-5-12-9(11)4-6-2-1-3-7(6)8/h6-7H,1-5H2/t6-,7-/m1/s1
InChIKey SUUQUNWIMXVXKP-RNFRBKRXSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JWOovkBayCZ
Name 4-Oxabicyclo[6.3.0]decan-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.078644243 u
Formula C9H12O3
InChI InChI=1S/C9H12O3/c10-8-5-12-9(11)4-6-2-1-3-7(6)8/h6-7H,1-5H2/t6-,7-/m1/s1
InChIKey SUUQUNWIMXVXKP-RNFRBKRXSA-N
Molecular Weight 168.192 g/mol
SMILES C1(OCC(=O)[C@]2([C@@](C1)(CCC2)[H])[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912564