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Adamantane, 1-acetyl-5-chloro-
SpectraBase Compound ID BoLUEKDuXpB
InChI InChI=1S/C12H17ClO/c1-8(14)11-3-9-2-10(4-11)6-12(13,5-9)7-11/h9-10H,2-7H2,1H3/t9-,10+,11+,12-
InChIKey BKDHIISBVHNZLI-IWDIQUIJSA-N
Mol Weight 212.72 g/mol
Molecular Formula C12H17ClO
Exact Mass 212.096793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ebepqlZXf1
Name Adamantane, 1-acetyl-5-chloro-
CAS Registry Number 143467-20-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17ClO
InChI InChI=1S/C12H17ClO/c1-8(14)11-3-9-2-10(4-11)6-12(13,5-9)7-11/h9-10H,2-7H2,1H3/t9-,10+,11+,12-
InChIKey BKDHIISBVHNZLI-IWDIQUIJSA-N
Molecular Weight 212.720 g/mol
SMILES [C@]12(C[C@]3(C[C@](C2)(C[C@@](C1)(C3)Cl)[H])C(=O)C)[H]
SPLASH splash10-0006-9500000000-82df1ad08736079c2394
Synonyms Adamantane, 1-acetyl-3-chloro- 1-(3-Chloranyl-1-adamantyl)ethanone 1-(3-Chloro-1-adamantyl)ethanone
Wiley ID 1479651