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3-Pyrrolidino-4(4H)-chromome

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

3-Pyrrolidino-4(4H)-chromome
SpectraBase Compound ID A3NROOfsX2m
InChI InChI=1S/C13H13NO2/c15-13-10-5-1-2-6-12(10)16-9-11(13)14-7-3-4-8-14/h1-2,5-6,9H,3-4,7-8H2
InChIKey MZYSHIOTGNNEKB-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GCYu5JxKuNx
Name 3-Pyrrolidino-4(4H)-chromome
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.094628661 u
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c15-13-10-5-1-2-6-12(10)16-9-11(13)14-7-3-4-8-14/h1-2,5-6,9H,3-4,7-8H2
InChIKey MZYSHIOTGNNEKB-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES C=1(C(C2=CC=CC=C2OC1)=O)N1CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837045