For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,4-Pentadiyn-3-one, 1,5-bis(4-chlorophenyl)-

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

1,4-Pentadiyn-3-one, 1,5-bis(4-chlorophenyl)-
SpectraBase Compound ID 1lRbnCjE2SY
InChI InChI=1S/C17H8Cl2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-4,7-10H
InChIKey JZZMCHUJYRMPQY-UHFFFAOYSA-N
Mol Weight 299.16 g/mol
Molecular Formula C17H8Cl2O
Exact Mass 297.99522 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FRiSgQbIS0s
Name 1,4-Pentadiyn-3-one, 1,5-bis(4-chlorophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.995220277 u
Formula C17H8Cl2O
InChI InChI=1S/C17H8Cl2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-4,7-10H
InChIKey JZZMCHUJYRMPQY-UHFFFAOYSA-N
Molecular Weight 299.156 g/mol
SMILES C1(=CC=C(C=C1)Cl)C#CC(=O)C#CC1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921465