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19,21-Tetracontadiyne

View entire compound with spectra: 1 FTIR

19,21-Tetracontadiyne
SpectraBase Compound ID 8al7H4zfoUu
InChI InChI=1S/C40H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey FZSPXFMMZHSOHU-UHFFFAOYSA-N
Mol Weight 555.0 g/mol
Molecular Formula C40H74
Exact Mass 554.579052 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BaJNW0teGxU
Name 19,21-Tetracontadiyne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.579052383 u
Formula C40H74
InChI InChI=1S/C40H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey FZSPXFMMZHSOHU-UHFFFAOYSA-N
Molecular Weight 555.032 g/mol
SMILES CCCCCCCCCCCCCCCCCCC#CC#CCCCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958919