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1-(7-Azabicyclo[4.2.0]octa-1,3,5-trien-7-yl)ethanone
SpectraBase Compound ID LLw80zhCDgl
InChI InChI=1S/C9H9NO/c1-7(11)10-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3
InChIKey ATRAWMVKSZOORH-UHFFFAOYSA-N
Mol Weight 147.18 g/mol
Molecular Formula C9H9NO
Exact Mass 147.068414 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HpxxOdWr2lm
Name 1-(7-Azabicyclo[4.2.0]octa-1,3,5-trien-7-yl)ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 147.068413913 u
Formula C9H9NO
InChI InChI=1S/C9H9NO/c1-7(11)10-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3
InChIKey ATRAWMVKSZOORH-UHFFFAOYSA-N
Molecular Weight 147.177 g/mol
SMILES C1=2N(CC1=CC=CC2)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944508