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3-Chlorobicyclo[3.2.1]octa-2,6-diene
SpectraBase Compound ID Ad7PKu7j2qu
InChI InChI=1S/C8H9Cl/c9-8-4-6-1-2-7(3-6)5-8/h1-2,4,6-7H,3,5H2/t6-,7+/m1/s1
InChIKey FKGVNCYHUTTXIK-RQJHMYQMSA-N
Mol Weight 140.61 g/mol
Molecular Formula C8H9Cl
Exact Mass 140.039278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EW2zOvPUuHN
Name 3-Chlorobicyclo[3.2.1]octa-2,6-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9Cl
InChI InChI=1S/C8H9Cl/c9-8-4-6-1-2-7(3-6)5-8/h1-2,4,6-7H,3,5H2/t6-,7+/m1/s1
InChIKey FKGVNCYHUTTXIK-RQJHMYQMSA-N
Literature Reference DOI 10.1002/cber.19821151104
Molecular Weight 140.613 g/mol
SMILES [C@@]12(C=C[C@@](C2)(CC(=C1)Cl)[H])[H]
SPLASH splash10-0a6u-3900000000-3602096f1a7d97d889e7
Source of Spectrum K-115-3512-13n
Synonyms (1S,5S)-3-chlorobicyclo[3.2.1]octa-2,6-diene
Wiley ID 1791892