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(Z)-(-)-2-(4-chlorophenyl)-1-phenylcyclopropanecarbonitrile

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

(Z)-(-)-2-(4-chlorophenyl)-1-phenylcyclopropanecarbonitrile
SpectraBase Compound ID 8Xl3OU1dD0C
InChI InChI=1S/C16H12ClN/c17-14-8-6-12(7-9-14)15-10-16(15,11-18)13-4-2-1-3-5-13/h1-9,15H,10H2/t15-,16+/m0/s1
InChIKey FFTZXVFKYHGEQP-JKSUJKDBSA-N
Mol Weight 253.73 g/mol
Molecular Formula C16H12ClN
Exact Mass 253.065827 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ed96lhsM64M
Name (Z)-(-)-2-(4-chlorophenyl)-1-phenylcyclopropanecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.065827090 u
Formula C16H12ClN
InChI InChI=1S/C16H12ClN/c17-14-8-6-12(7-9-14)15-10-16(15,11-18)13-4-2-1-3-5-13/h1-9,15H,10H2/t15-,16+/m0/s1
InChIKey FFTZXVFKYHGEQP-JKSUJKDBSA-N
Molecular Weight 253.732 g/mol
SMILES C1[C@]([C@@]1(C1=CC=CC=C1)C#N)(C=1C=CC(=CC1)Cl)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93313