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(S)-6-Methyl-3,4,5,6-tetrahydrocyclopenta[b]pyran-7(2H)-one

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

(S)-6-Methyl-3,4,5,6-tetrahydrocyclopenta[b]pyran-7(2H)-one
SpectraBase Compound ID L2kxSW14xPD
InChI InChI=1S/C9H12O2/c1-6-5-7-3-2-4-11-9(7)8(6)10/h6H,2-5H2,1H3/t6-/m0/s1
InChIKey AGFXNFHZVOIVOP-LURJTMIESA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1p2CBx9byD
Name (S)-6-Methyl-3,4,5,6-tetrahydrocyclopenta[B]pyran-7(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 152.083729624 u
Formula C9H12O2
InChI InChI=1S/C9H12O2/c1-6-5-7-3-2-4-11-9(7)8(6)10/h6H,2-5H2,1H3/t6-/m0/s1
InChIKey AGFXNFHZVOIVOP-LURJTMIESA-N
Molecular Weight 152.193 g/mol
SMILES C12=C(CCCO2)C[C@@](C1=O)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893125