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Bicyclo[2.2.1]heptane-2-carbonitrile, 2,5-dichloro-6-(phenylseleno)-, (2-endo,5-endo,6-exo)-(.+-.)-
SpectraBase Compound ID Iyz5mFiGJRW
InChI InChI=1S/C14H13Cl2NSe/c15-12-9-6-11(14(16,7-9)8-17)13(12)18-10-4-2-1-3-5-10/h1-5,9,11-13H,6-7H2/t9-,11-,12?,13+,14-/m1/s1
InChIKey SITURQMJXRHBOX-PRKRQFAPSA-N
Mol Weight 345.14 g/mol
Molecular Formula C14H13Cl2NSe
Exact Mass 344.959027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqQ4y263jY8
Name Bicyclo[2.2.1]heptane-2-carbonitrile, 2,5-dichloro-6-(phenylseleno)-, (2-endo,5-endo,6-exo)-(.+-.)-
CAS Registry Number 126637-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13Cl2NSe
InChI InChI=1S/C14H13Cl2NSe/c15-12-9-6-11(14(16,7-9)8-17)13(12)18-10-4-2-1-3-5-10/h1-5,9,11-13H,6-7H2/t9-,11-,12?,13+,14-/m1/s1
InChIKey SITURQMJXRHBOX-PRKRQFAPSA-N
Molecular Weight 345.143 g/mol
SMILES [C@]12([C@@](C(Cl)[C@](C2)(C[C@]1(C#N)Cl)[H])([Se]c1ccccc1)[H])[H]
SPLASH splash10-07fr-9802000000-ee63b0489e572d9c5017
Source of Spectrum H-72-1023-31
Synonyms 2,5-Dichloro-6-(phenylselanyl)bicyclo[2.2.1]heptane-2-carbonitrile 6-exo-benzeneselenyl-2-endo,5-endo-dichlorobicyclo[2.2.2]heptane-2-exo-carbonitrile
Wiley ID 1338490