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EXO-TRICYCLO-[3.2.1.0(2,4)]-OCTAN
SpectraBase Compound ID DjFwLLjgc5Y
InChI InChI=1S/C8H12/c1-2-6-3-5(1)7-4-8(6)7/h5-8H,1-4H2/t5-,6+,7+,8-
InChIKey PSZPCAFRANQPLS-SOSBWXJGSA-N
Mol Weight 108.18 g/mol
Molecular Formula C8H12
Exact Mass 108.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApSWOIRvjrP
Name exo tricyclo[3.2.1.0(2,4)]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 108.093900386 u
Formula C8H12
InChI InChI=1S/C8H12/c1-2-6-3-5(1)7-4-8(6)7/h5-8H,1-4H2/t5-,6+,7+,8-
InChIKey PSZPCAFRANQPLS-SOSBWXJGSA-N
Instrument Name Agilent MSD-5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611705
Molecular Weight 108.184 g/mol
Quality 942
SMILES [C@]12([C@]3(C[C@@]([C@]2(C1)[H])(CC3)[H])[H])[H]
SPLASH splash10-00or-9000000000-27be133f0205d1fcddde
Source of Spectrum ACI-56-SM14-Figure S9 (DOI: 10.1002/anie.201611705)
Wiley ID 1896779