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2-Ethoxy-1-phenylthiocyclopropanecarbonitrile

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-Ethoxy-1-phenylthiocyclopropanecarbonitrile
SpectraBase Compound ID LixsQoM0EPZ
InChI InChI=1S/C12H13NOS/c1-2-14-11-8-12(11,9-13)15-10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3
InChIKey PPILLLGVIQZQEK-UHFFFAOYSA-N
Mol Weight 219.3 g/mol
Molecular Formula C12H13NOS
Exact Mass 219.071785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fll0aZYkN5A
Name 2-Ethoxy-1-phenylthiocyclopropanecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.071785216 u
Formula C12H13NOS
InChI InChI=1S/C12H13NOS/c1-2-14-11-8-12(11,9-13)15-10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3
InChIKey PPILLLGVIQZQEK-UHFFFAOYSA-N
Molecular Weight 219.302 g/mol
SMILES C1(CC1OCC)(C#N)SC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83274