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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) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARLTj8BwYAI
Name 1,3,5-Cycloheptatriene
CAS Registry Number 544-25-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H8
InChI InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChIKey CHVJITGCYZJHLR-UHFFFAOYSA-N
Instrument Name Varian SC-300
Literature Reference Z.W. Qiu, D.M. Grant, R.J. Pugmuire, J. Am. Chem. Soc. 104, 2747 (1982).
NMR Standard Cyclohexane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3