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1,8a-Dihydro-2-[ 2'.3',5',6',8',9'.11',12'-octahydro-1',4',7',10',13'-benzopentaoxacyclopentadecin-15'-yl ] -1,1-azulenedicarbonitrile

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

1,8a-Dihydro-2-[ 2'.3',5',6',8',9'.11',12'-octahydro-1',4',7',10',13'-benzopentaoxacyclopentadecin-15'-yl ] -1,1-azulenedicarbonitrile
SpectraBase Compound ID 55rBWpFqHW8
InChI InChI=1S/C26H26N2O5/c27-18-26(19-28)22-5-3-1-2-4-20(22)16-23(26)21-6-7-24-25(17-21)33-15-13-31-11-9-29-8-10-30-12-14-32-24/h1-7,16-17,22H,8-15H2
InChIKey IEYYOWKEIIYSLL-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C26H26N2O5
Exact Mass 446.184172 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9u7vab7gdjo
Name 1,8A-Dihydro-2-[ 2'.3',5',6',8',9'.11',12'-octahydro-1',4',7',10',13'-benzopentaoxacyclopentadecin-15'-yl ] -1,1-azulenedicarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.184171940 u
Formula C26H26N2O5
InChI InChI=1S/C26H26N2O5/c27-18-26(19-28)22-5-3-1-2-4-20(22)16-23(26)21-6-7-24-25(17-21)33-15-13-31-11-9-29-8-10-30-12-14-32-24/h1-7,16-17,22H,8-15H2
InChIKey IEYYOWKEIIYSLL-UHFFFAOYSA-N
Molecular Weight 446.503 g/mol
SMILES C1(C(=CC=2C1C=CC=CC2)C=1C=C2OCCOCCOCCOCCOC2=CC1)(C#N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931646