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2,4,4,5,5-Pentamethyl-3-heptanone
SpectraBase Compound ID IYWQe2Mf64B
InChI InChI=1S/C12H24O/c1-8-11(4,5)12(6,7)10(13)9(2)3/h9H,8H2,1-7H3
InChIKey IPZCFDNELISCOB-UHFFFAOYSA-N
Mol Weight 184.32 g/mol
Molecular Formula C12H24O
Exact Mass 184.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B30DTqfDuNc
Name 2,4,4,5,5-Pentamethyl-3-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O
InChI InChI=1S/C12H24O/c1-8-11(4,5)12(6,7)10(13)9(2)3/h9H,8H2,1-7H3
InChIKey IPZCFDNELISCOB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19801131208
Molecular Weight 184.323 g/mol
SMILES C(C(C(C(C)C)=O)(C)C)(C)(C)CC
SPLASH splash10-0229-9600000000-99be1035be657c0b1ec4
Source of Spectrum K-113-3753-43
Synonyms 2,4,4,5,5-pentamethylheptan-3-one
Wiley ID 1792626