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(Z)-Henicos-12-ene-2,4-dione

View entire compound with spectra: 1 NMR, and 1 FTIR

(Z)-Henicos-12-ene-2,4-dione
SpectraBase Compound ID Hy8JaY5UYTD
InChI InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20(2)22/h10-11H,3-9,12-19H2,1-2H3/b11-10-
InChIKey NOFWUNDRGNPPMV-KHPPLWFESA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H38O2
Exact Mass 322.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5gsYIRcBjP0
Name (Z)-Henicos-12-ene-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.287180462 u
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20(2)22/h10-11H,3-9,12-19H2,1-2H3/b11-10-
InChIKey NOFWUNDRGNPPMV-KHPPLWFESA-N
Molecular Weight 322.533 g/mol
SMILES CC(CC(CCCCCCC\C=C/CCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969328