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1-(Acetoxy)-4-oxo-tricosa-2,5,18-triene

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

1-(Acetoxy)-4-oxo-tricosa-2,5,18-triene
SpectraBase Compound ID FA5BCvaip7R
InChI InChI=1S/C25H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25(27)22-20-23-28-24(2)26/h6-7,19-22H,3-5,8-18,23H2,1-2H3/b7-6+,21-19+,22-20+
InChIKey HEVHMHIREOIPFK-VMDVHWBISA-N
Mol Weight 390.6 g/mol
Molecular Formula C25H42O3
Exact Mass 390.313395 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K549wA4qeya
Name 1-(Acetoxy)-4-oxo-tricosa-2,5,18-triene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.313395209 u
Formula C25H42O3
InChI InChI=1S/C25H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25(27)22-20-23-28-24(2)26/h6-7,19-22H,3-5,8-18,23H2,1-2H3/b7-6+,21-19+,22-20+
InChIKey HEVHMHIREOIPFK-VMDVHWBISA-N
Molecular Weight 390.608 g/mol
SMILES C(\C=C\C(\C=C\CCCCCCCCCCC\C=C\CCCC)=O)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851361