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Spiro(2H-1-benzopyran-2,1'-cyclopentan)-4(3H)-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

Spiro(2H-1-benzopyran-2,1'-cyclopentan)-4(3H)-one
SpectraBase Compound ID HUHYUIRErWR
InChI InChI=1S/C13H14O2/c14-11-9-13(7-3-4-8-13)15-12-6-2-1-5-10(11)12/h1-2,5-6H,3-4,7-9H2
InChIKey ICHMJHUCIOLELS-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BzUSHQukxgg
Name Spiro[2H-1-benzopyran-2,1'-cyclopentan]-4(3H)-one; spiro(2H-1-benzopyran-2,1'-cyclopentan)-4(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.099379689 u
Formula C13H14O2
InChI InChI=1S/C13H14O2/c14-11-9-13(7-3-4-8-13)15-12-6-2-1-5-10(11)12/h1-2,5-6H,3-4,7-9H2
InChIKey ICHMJHUCIOLELS-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C12(CC(C=3C=CC=CC3O1)=O)CCCC2
Spectrum/Structure Validation Score (Raman) 0.789953