For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S,2R,7S)-1,2,7-trimethyldecyl Propionate
SpectraBase Compound ID 9nzS4H5WTEv
InChI InChI=1S/C16H32O2/c1-6-10-13(3)11-8-9-12-14(4)15(5)18-16(17)7-2/h13-15H,6-12H2,1-5H3/t13-,14+,15-/m0/s1
InChIKey KPCKBUDFMACIJO-ZNMIVQPWSA-N
Mol Weight 256.4 g/mol
Molecular Formula C16H32O2
Exact Mass 256.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IHKZP8sErDs
Name (1S,2R,7S)-1,2,7-trimethyldecyl Propionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H32O2
InChI InChI=1S/C16H32O2/c1-6-10-13(3)11-8-9-12-14(4)15(5)18-16(17)7-2/h13-15H,6-12H2,1-5H3/t13-,14+,15-/m0/s1
InChIKey KPCKBUDFMACIJO-ZNMIVQPWSA-N
Molecular Weight 256.430 g/mol
SMILES C(O[C@]([C@@](CCCC[C@](CCC)(C)[H])(C)[H])(C)[H])(=O)CC
SPLASH splash10-0pbi-9500000000-67897fabbdeaf2db5cf4
Source of Spectrum AJ-75-114-6
Synonyms Propanoic acid [(2S,3R,8S)-3,8-dimethylundecan-2-yl] ester [(1S,2R,7S)-1,2,7-trimethyldecyl] propanoate [(2S,3R,8S)-3,8-dimethylundecan-2-yl] propanoate
Wiley ID 1576992