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2-(1-Adamantyl)-2,4-dimethyl-3-pentanone
SpectraBase Compound ID cgBfxPHe8J
InChI InChI=1S/C17H28O/c1-11(2)15(18)16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-14H,5-10H2,1-4H3/t12-,13+,14-,17-
InChIKey RTCJMWLPKQDEIV-ZZNDEYBLSA-N
Mol Weight 248.41 g/mol
Molecular Formula C17H28O
Exact Mass 248.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBCe019AdeS
Name 2-(1-Adamantyl)-2,4-dimethyl-3-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O
InChI InChI=1S/C17H28O/c1-11(2)15(18)16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17/h11-14H,5-10H2,1-4H3/t12-,13+,14-,17-
InChIKey RTCJMWLPKQDEIV-ZZNDEYBLSA-N
Literature Reference DOI 10.1002/cber.19801131208
Molecular Weight 248.410 g/mol
SMILES C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(C3)C(C(C(C)C)=O)(C)C)[H])[H])[H]
SPLASH splash10-000i-3930000000-49b308a7b3a387f08aa1
Source of Spectrum K-113-3754-61
Synonyms 2-((3r,5r,7r)-adamantan-1-yl)-2,4-dimethylpentan-3-one
Wiley ID 1792635