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2-Hydroxy-5-morpholinomethyl-2,4,6-cycloheptatrien-1-one

View entire compound with spectra: 1 FTIR

2-Hydroxy-5-morpholinomethyl-2,4,6-cycloheptatrien-1-one
SpectraBase Compound ID CRQ17Ss20Ov
InChI InChI=1S/C12H15NO3/c14-11-3-1-10(2-4-12(11)15)9-13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)
InChIKey AWUVLJZVOLKFQO-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BFTrmCFxtLa
Name 2-Hydroxy-5-morpholinomethyl-2,4,6-cycloheptatrien-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.105193344 u
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c14-11-3-1-10(2-4-12(11)15)9-13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)
InChIKey AWUVLJZVOLKFQO-UHFFFAOYSA-N
Molecular Weight 221.256 g/mol
SMILES C1=CC(C(=CC=C1CN1CCOCC1)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934765