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5-(7H-Bicyclo-[4.1.0]-hepta-1,3,5-trien-7-ylidene)-5H-dibenzo-[A,D]-cyclohept-10-ene

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

5-(7H-Bicyclo-[4.1.0]-hepta-1,3,5-trien-7-ylidene)-5H-dibenzo-[A,D]-cyclohept-10-ene
SpectraBase Compound ID 75t6uToO5ZK
InChI InChI=1S/C22H14/c1-3-9-17-15(7-1)13-14-16-8-2-4-10-18(16)21(17)22-19-11-5-6-12-20(19)22/h1-14H
InChIKey ITMGIFRTJSTUCD-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C22H14
Exact Mass 278.10955 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4sYukUnM6bF
Name 5-(7H-Bicyclo-[4.1.0]-hepta-1,3,5-trien-7-ylidene)-5H-dibenzo-[A,D]-cyclohept-10-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.109550451 u
Formula C22H14
InChI InChI=1S/C22H14/c1-3-9-17-15(7-1)13-14-16-8-2-4-10-18(16)21(17)22-19-11-5-6-12-20(19)22/h1-14H
InChIKey ITMGIFRTJSTUCD-UHFFFAOYSA-N
SMILES C1=2C(=C3C4=CC=CC=C34)C3=CC=CC=C3C=CC1=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916407