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Dicyclohepteno[a,i]cyclohexadeca-3,11-diene

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

Dicyclohepteno[a,i]cyclohexadeca-3,11-diene
SpectraBase Compound ID BEnnMpGQ4cg
InChI InChI=1S/C26H40/c1-2-8-16-24-20-12-6-14-22-26(24)18-10-4-3-9-17-25-21-13-5-11-19-23(25)15-7-1/h7,10,15,18-19,22,24-25H,1-6,8-9,11-14,16-17,20-21H2/b15-7+,18-10+
InChIKey NCCMRPQZIVIAOM-RKYZOEPWSA-N
Mol Weight 352.6 g/mol
Molecular Formula C26H40
Exact Mass 352.313001 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ApanI2i6j8s
Name Dicyclohepteno[A,I]cyclohexadeca-3,11-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.313001288 u
Formula C26H40
InChI InChI=1S/C26H40/c1-2-8-16-24-20-12-6-14-22-26(24)18-10-4-3-9-17-25-21-13-5-11-19-23(25)15-7-1/h7,10,15,18-19,22,24-25H,1-6,8-9,11-14,16-17,20-21H2/b15-7+,18-10+
InChIKey NCCMRPQZIVIAOM-RKYZOEPWSA-N
Molecular Weight 352.606 g/mol
SMILES C=12\C=C\CCCCC3CCCCC=C3\C=C\CCCCC2CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960429