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2-Trans-(2-phenylcyclopropyl)oxazoline

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

2-Trans-(2-phenylcyclopropyl)oxazoline
SpectraBase Compound ID DikNceo4pm7
InChI InChI=1S/C12H13NO/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
InChIKey HDDNHKUDIZVVHB-WDEREUQCSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IElZstjK7Gv
Name 2-Trans-(2-phenylcyclopropyl)oxazoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 187.099714042 u
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2/t10-,11+/m0/s1
InChIKey HDDNHKUDIZVVHB-WDEREUQCSA-N
Molecular Weight 187.242 g/mol
SMILES C=1(OCCN1)[C@]1([C@@](C1)(C=1C=CC=CC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95911