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Trimer of cyclopentylacetylene

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Trimer of cyclopentylacetylene
SpectraBase Compound ID 1zGfLljuXS8
InChI InChI=1S/3C7H10.42CH4/c3*1-2-7-5-3-4-6-7;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1,7H,3-6H2;42*1H4
InChIKey OHHNHGJFWFCDIE-UHFFFAOYSA-N
Mol Weight 956.28 g/mol
Molecular Formula C63H198
Exact Mass 955.549356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFnHlaGJp49
Name Trimer of cyclopentylacetylene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 955.549356376 u
Formula C63H198
InChI InChI=1S/3C7H10.42CH4/c3*1-2-7-5-3-4-6-7;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1,7H,3-6H2;42*1H4
InChIKey OHHNHGJFWFCDIE-UHFFFAOYSA-N
Molecular Weight 956.277 g/mol
Nominal Mass 954 u
SMILES C.C.C.C1CCC(C#C)C1.C1CCC(C#C)C1.C1CCC(C#C)C1.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C