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1-(3,3-Dichloro-1-propynyl)adamantane
SpectraBase Compound ID 3tqpaQgVgih
InChI InChI=1S/C13H16Cl2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12H,3-8H2/t9-,10+,11-,13+
InChIKey DIYOHQNCVGANID-UPFUWZEBSA-N
Mol Weight 243.18 g/mol
Molecular Formula C13H16Cl2
Exact Mass 242.062906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWh3rG5qN3
Name 1-(3,3-Dichloro-1-propynyl)adamantane
CAS Registry Number 139185-48-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16Cl2
InChI InChI=1S/C13H16Cl2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-12H,3-8H2/t9-,10+,11-,13+
InChIKey DIYOHQNCVGANID-UPFUWZEBSA-N
Molecular Weight 243.177 g/mol
SMILES [C@]12(C[C@@]3(CC(C2)(C[C@](C1)(C3)[H])C#CC(Cl)Cl)[H])[H]
SPLASH splash10-0a6u-9720000000-13b682befdff2cc53c11
Synonyms 1-(3,3-dichloroprop-1-ynyl)adamantane 1-[3,3-bis(chloranyl)prop-1-ynyl]adamantane Adamantane-1-(3,3-dichloropropyn-1-yl)
Wiley ID 1471342