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2,2-Dimethyl-12-hexadecynylpropanoate

View entire compound with spectra: 1 MS (GC)

2,2-Dimethyl-12-hexadecynylpropanoate
SpectraBase Compound ID 2WpTogoqj0T
InChI InChI=1S/C21H38O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21(3,4)19-23-20(22)6-2/h5-7,10-19H2,1-4H3
InChIKey DXKKQAKMQQYTFU-UHFFFAOYSA-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 Cq4GZiKHn1K
Name 2,2-Dimethyl-12-hexadecynylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21(3,4)19-23-20(22)6-2/h5-7,10-19H2,1-4H3
InChIKey DXKKQAKMQQYTFU-UHFFFAOYSA-N
Molecular Weight 322.533 g/mol
SMILES C(#CCCC)CCCCCCCCCC(COC(=O)CC)(C)C
SPLASH splash10-05o1-9100000000-1be22d8a911ae5954ec7
Source of Spectrum QF-9-2793-7
Synonyms 2,2-Dimethyl-12-hexadecynyl propionate
Wiley ID 1558574