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(5S)-3-cetyl-5-methyl-5H-furan-2-one
SpectraBase Compound ID IdS5K6Y3sdZ
InChI InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19(2)23-21(20)22/h18-19H,3-17H2,1-2H3/t19-/m0/s1
InChIKey NCCJSLVFKCUXJL-IBGZPJMESA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H38O2
Exact Mass 322.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5vYAQWsxWL
Name (2S)-4-cetyl-2-methyl-2H-furan-5-one
CAS Registry Number 71325-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19(2)23-21(20)22/h18-19H,3-17H2,1-2H3/t19-/m0/s1
InChIKey NCCJSLVFKCUXJL-IBGZPJMESA-N
Molecular Weight 322.533 g/mol
SMILES C1(C(=C[C@@](O1)(C)[H])CCCCCCCCCCCCCCCC)=O
SPLASH splash10-006x-9203000000-c116b73c1cd568d41f28
Source of Spectrum F-44-5144-9
Synonyms (2S)-4-hexadecyl-2-methyl-2H-furan-5-one
Wiley ID 1322123