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(6R,8as) 6-Acetoxyhexahydrochromen-2-one

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

(6R,8as) 6-Acetoxyhexahydrochromen-2-one
SpectraBase Compound ID 2M4s2DTqBbq
InChI InChI=1S/C11H14O4/c1-7(12)14-9-3-4-10-8(6-9)2-5-11(13)15-10/h6,9-10H,2-5H2,1H3/t9-,10+/m1/s1
InChIKey MVTIWFYWIOKBCD-ZJUUUORDSA-N
Mol Weight 210.23 g/mol
Molecular Formula C11H14O4
Exact Mass 210.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IqvmVt9c6RS
Name (6R,8as) 6-Acetoxyhexahydrochromen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.089208927 u
Formula C11H14O4
InChI InChI=1S/C11H14O4/c1-7(12)14-9-3-4-10-8(6-9)2-5-11(13)15-10/h6,9-10H,2-5H2,1H3/t9-,10+/m1/s1
InChIKey MVTIWFYWIOKBCD-ZJUUUORDSA-N
Molecular Weight 210.229 g/mol
SMILES C12=C[C@](OC(=O)C)(CC[C@@]1(OC(CC2)=O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817306