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3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile

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

3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanenitrile
SpectraBase Compound ID 4VKmCFuu7n
InChI InChI=1S/C10H8N2O2/c11-6-3-7-12-8-4-1-2-5-9(8)14-10(12)13/h1-2,4-5H,3,7H2
InChIKey CAVKDMJWXRXNJH-UHFFFAOYSA-N
Mol Weight 188.19 g/mol
Molecular Formula C10H8N2O2
Exact Mass 188.058578 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7WKg3JRmaYa
Name 3-(2-oxo-1,3-Benzoxazol-3(2H)-yl)propanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.058577504 u
Formula C10H8N2O2
InChI InChI=1S/C10H8N2O2/c11-6-3-7-12-8-4-1-2-5-9(8)14-10(12)13/h1-2,4-5H,3,7H2
InChIKey CAVKDMJWXRXNJH-UHFFFAOYSA-N
Molecular Weight 188.186 g/mol
SMILES C1(N(C=2C=CC=CC2O1)CCC#N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855653