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2-Carbonitrile, bicyclo[2.2.1]hepta-2,5-diene

View entire compound with spectra: 1 MS (GC)

2-Carbonitrile, bicyclo[2.2.1]hepta-2,5-diene
SpectraBase Compound ID CQDoNWt6vzE
InChI InChI=1S/C8H7N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,4,6-7H,3H2/t6-,7+/m0/s1
InChIKey NMTOJNONWQWGOI-NKWVEPMBSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0QeZ9WaOr1
Name 2-Carbonitrile, bicyclo[2.2.1]hepta-2,5-diene
CAS Registry Number 39863-20-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,4,6-7H,3H2/t6-,7+/m0/s1
InChIKey NMTOJNONWQWGOI-NKWVEPMBSA-N
Molecular Weight 117.151 g/mol
SMILES C1(=C[C@@]2(C[C@]1(C=C2)[H])[H])C#N
SPLASH splash10-014i-9600000000-20272147809591fcbf4a
Source of Spectrum K-120-533-1
Synonyms 2-Carbonitrile,bicyclo[2.2.1]hept-2,5-diene 3-bicyclo[2.2.1]hepta-2,5-dienecarbonitrile bicyclo[2.2.1]hepta-2,5-diene-3-carbonitrile
Wiley ID 1126166