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1,3,5-Cycloheptatriene

View entire compound with spectra: 43 NMR, 4 FTIR, 12 MS (GC), and 2 Near IR

1,3,5-Cycloheptatriene
SpectraBase Compound ID LpnXK4RjgHN
InChI InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChIKey CHVJITGCYZJHLR-UHFFFAOYSA-N
Mol Weight 92.14 g/mol
Molecular Formula C7H8
Exact Mass 92.0626 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FhQCyCMBdly
Name Cycloheptatriene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C99205
CAS Registry Number 544-25-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8
InChI InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChIKey CHVJITGCYZJHLR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,3,5-Cycloheptatriene Tropilidine
Wiley ID SIAL_13CNMR_011277