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3-cyclododecylpropanoic acid methyl ester
SpectraBase Compound ID Gvvt0GPyjQ8
InChI InChI=1S/C16H30O2/c1-18-16(17)14-13-15-11-9-7-5-3-2-4-6-8-10-12-15/h15H,2-14H2,1H3
InChIKey DNMZZQADUHJLJS-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K73zU5NNdEt
Name 3-cyclododecylpropanoic acid methyl ester
Alternate Name(s) 3-cyclododecylpropionic acid methyl ester Methyl 3-cyclododecylpropanoate
CAS Registry Number 70319-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-18-16(17)14-13-15-11-9-7-5-3-2-4-6-8-10-12-15/h15H,2-14H2,1H3
InChIKey DNMZZQADUHJLJS-UHFFFAOYSA-N
Molecular Weight 254.414 g/mol
SMILES C(=O)(CCC1CCCCCCCCCCC1)OC
SPLASH splash10-059i-9100000000-3dfbb6bdb5c6c016ad1f
Source of Spectrum H-62-56-0
Wiley ID 1258164