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2,3-Bis[[(N,N-pentamethyleneamino)carbonyl]ethynyl]bicyclo[2.2.1]hepta-2,5-diene
SpectraBase Compound ID 9XZwRotcO6A
InChI InChI=1S/C23H26N2O2/c26-22(24-13-3-1-4-14-24)11-9-20-18-7-8-19(17-18)21(20)10-12-23(27)25-15-5-2-6-16-25/h7-8,18-19H,1-6,13-17H2/t18-,19+
InChIKey UPOMAYVMJHYUCN-KDURUIRLSA-N
Mol Weight 362.47 g/mol
Molecular Formula C23H26N2O2
Exact Mass 362.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVGftStsWQm
Name 2,3-Bis[[(N,N-pentamethyleneamino)carbonyl]ethynyl]bicyclo[2.2.1]hepta-2,5-diene
Alternate Name(s) 1-(3-{3-[3-oxo-3-(1-piperidinyl)-1-propynyl]bicyclo[2.2.1]hepta-2,5-dien-2-yl}-2-propynoyl)piperidine
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Formula C23H26N2O2
InChI InChI=1S/C23H26N2O2/c26-22(24-13-3-1-4-14-24)11-9-20-18-7-8-19(17-18)21(20)10-12-23(27)25-15-5-2-6-16-25/h7-8,18-19H,1-6,13-17H2/t18-,19+
InChIKey UPOMAYVMJHYUCN-KDURUIRLSA-N
Molecular Weight 362.473 g/mol
SMILES C1(=C(C#CC(N2CCCCC2)=O)[C@@]2(C[C@]1(C=C2)[H])[H])C#CC(N1CCCCC1)=O
SPLASH splash10-001r-9010000000-794161a59edd6ed48ca5
Source of Spectrum J-61-6165-3
Wiley ID 1349964