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1-(1-adamantyl)-2-propyn-1-one
SpectraBase Compound ID At4PE3Yn7g0
InChI InChI=1S/C13H16O/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h1,9-11H,3-8H2/t9-,10+,11?,13-
InChIKey LIKDMNKAJNDJDP-FWEAKJGXSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rmLKexh6m1
Name 1-(1-adamantyl)-2-propyn-1-one
CAS Registry Number 94609-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h1,9-11H,3-8H2/t9-,10+,11?,13-
InChIKey LIKDMNKAJNDJDP-FWEAKJGXSA-N
Molecular Weight 188.270 g/mol
SMILES [C@]12(C(C#C)=O)CC3C[C@@](C2)(C[C@@](C1)(C3)[H])[H]
SPLASH splash10-000l-9800000000-466078f37fe70cf5e23d
Source of Spectrum H-67-1970-0
Synonyms 1-(1-adamantyl)prop-2-yn-1-one
Wiley ID 1185137